PubChemLite - 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]+	354.24275	190.9
[M+Na]+	376.22469	200.3
[M+NH4]+	371.26929	200.1
[M+K]+	392.19863	193.9
[M-H]-	352.22819	195.6
[M+Na-2H]-	374.21014	193.9
[M]+	353.23492	193.5
[M]-	353.23602	193.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

354.24275

190.9

[M+Na]+

376.22469

200.3

[M+NH4]+

371.26929

200.1

[M+K]+

392.19863

193.9

[M-H]-

352.22819

195.6

[M+Na-2H]-

374.21014

193.9

[M]+

353.23492

193.5

[M]-

353.23602

193.5

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

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