PubChemLite - 142636-14-4 (C29H51NO)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C29H51NO/c1-24(2)14-11-16-26(4)18-12-17-25(3)15-9-10-22-30(8)23-13-19-27(5)20-21-28-29(6,7)31-28/h14-15,18-19,28H,9-13,16-17,20-23H2,1-8H3/b25-15+,26-18+,27-19+

InChIKey

QVSSLEUYYYXQOL-HCHGGRKRSA-N

Compound name

(4E,8E)-N-[(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-N,5,9,13-tetramethyltetradeca-4,8,12-trien-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.

142636-14-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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