8-((6r)-6-((e)-hex-1-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl)-3-oxa-1-azaspiro(4.4)nonan-2-one (C23H31NO2)

Structural Information

Molecular Formula

SMILES

CCCC/C=C/[C@@H]1CCC2=C(C1)C=CC(=C2)C3CCC4(C3)COC(=O)N4

InChI

InChI=1S/C23H31NO2/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-23(15-21)16-26-22(25)24-23/h5-6,9-10,14,17,21H,2-4,7-8,11-13,15-16H2,1H3,(H,24,25)/b6-5+/t17-,21?,23?/m1/s1

InChIKey

XHRWOLBLPGRDFY-HRQMJEIHSA-N

Compound name

8-[(6R)-6-[(E)-hex-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-oxa-1-azaspiro[4.4]nonan-2-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	354.242746	190.8
[M+Na]+	376.224688	194.5
[M-H]-	352.228194	196.7
[M+NH4]+	371.269293	206.9
[M+K]+	392.198628	188.4
[M+H-H2O]+	336.232730	183.0
[M+HCOO]-	398.233671	203.1
[M+CH3COO]-	412.249321	198.9
[M+Na-2H]-	374.210136	187.1
[M]+	353.23492142	184.8
[M]-	353.23601858	184.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

354.242746

190.8

[M+Na]+

376.224688

194.5

[M-H]-

352.228194

196.7

[M+NH4]+

371.269293

206.9

[M+K]+

392.198628

188.4

[M+H-H2O]+

336.232730

183.0

[M+HCOO]-

398.233671

203.1

[M+CH3COO]-

412.249321

198.9

[M+Na-2H]-

374.210136

187.1

[M]+

353.23492142

184.8

[M]-

353.23601858

184.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

8-((6r)-6-((e)-hex-1-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl)-3-oxa-1-azaspiro(4.4)nonan-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe