CID 10802739

10s,14s-dimethyl-1-octadecene

Structural Information

Molecular Formula

C₂₀H₄₀

SMILES

CCCC[C@H](C)CCC[C@@H](C)CCCCCCCC=C

InChI

InChI=1S/C20H40/c1-5-7-9-10-11-12-13-16-20(4)18-14-17-19(3)15-8-6-2/h5,19-20H,1,6-18H2,2-4H3/t19-,20-/m0/s1

InChIKey

HNNJJUHEQQKTEO-PMACEKPBSA-N

Compound name

(10S,14S)-10,14-dimethyloctadec-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 31
Patents: 280.313 Da
Monoisotopic Mass: 10.5
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]+	281.320276	182.2
[M+Na]+	303.302218	183.5
[M-H]-	279.305724	180.1
[M+NH4]+	298.346823	198.4
[M+K]+	319.276158	179.9
[M+H-H2O]+	263.310260	175.6
[M+HCOO]-	325.311201	199.5
[M+CH3COO]-	339.326851	210.3
[M+Na-2H]-	301.287666	179.2
[M]+	280.31245142	186.8
[M]-	280.31354858	186.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.