PubChemLite - (8e,16e)-19-(3,3-dimethyloxiran-2-yl)-n,n,4,8,13,17-hexamethylnonadeca-4,8,12,16-tetraen-1-amine (C29H51NO)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CCC=C(C)CC/C=C(\C)/CCC1C(O1)(C)C)/C)CCCN(C)C

InChI

InChI=1S/C29H51NO/c1-24(16-11-18-26(3)20-13-23-30(7)8)14-9-10-15-25(2)17-12-19-27(4)21-22-28-29(5,6)31-28/h14-15,18-19,28H,9-13,16-17,20-23H2,1-8H3/b24-14+,25-15?,26-18?,27-19+

InChIKey

GWEMXZKDKGDITR-WOQKMROYSA-N

Compound name

(8E,16E)-19-(3,3-dimethyloxiran-2-yl)-N,N,4,8,13,17-hexamethylnonadeca-4,8,12,16-tetraen-1-amine

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]+	430.40434	213.8
[M+Na]+	452.38628	215.3
[M-H]-	428.38978	217.5
[M+NH4]+	447.43088	220.7
[M+K]+	468.36022	211.2
[M+H-H2O]+	412.39432	206.8
[M+HCOO]-	474.39526	228.1
[M+CH3COO]-	488.41091	242.8
[M+Na-2H]-	450.37173	206.7
[M]+	429.39651	222.5
[M]-	429.39761	222.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

430.40434

213.8

[M+Na]+

452.38628

215.3

[M-H]-

428.38978

217.5

[M+NH4]+

447.43088

220.7

[M+K]+

468.36022

211.2

[M+H-H2O]+

412.39432

206.8

[M+HCOO]-

474.39526

228.1

[M+CH3COO]-

488.41091

242.8

[M+Na-2H]-

450.37173

206.7

[M]+

429.39651

222.5

[M]-

429.39761

222.5

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

(8e,16e)-19-(3,3-dimethyloxiran-2-yl)-n,n,4,8,13,17-hexamethylnonadeca-4,8,12,16-tetraen-1-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe