CID 11021850

14s-methyl-1-octadecene

Structural Information

Molecular Formula

C₁₉H₃₈

SMILES

CCCC[C@H](C)CCCCCCCCCCCC=C

InChI

InChI=1S/C19H38/c1-4-6-8-9-10-11-12-13-14-15-16-18-19(3)17-7-5-2/h4,19H,1,5-18H2,2-3H3/t19-/m0/s1

InChIKey

NAEZQVWAWSVOSD-IBGZPJMESA-N

Compound name

(14S)-14-methyloctadec-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2487
Patents: 266.29736 Da
Monoisotopic Mass: 10.3
XlogP (predicted)

Profile

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]+	267.30464	177.0
[M+Na]+	289.28658	179.0
[M-H]-	265.29008	175.1
[M+NH4]+	284.33118	193.9
[M+K]+	305.26052	175.2
[M+H-H2O]+	249.29462	170.5
[M+HCOO]-	311.29556	195.7
[M+CH3COO]-	325.31121	206.6
[M+Na-2H]-	287.27203	175.9
[M]+	266.29681	182.0
[M]-	266.29791	182.0

Literature stripe

literature stripe

Patent stripe

patents stripe