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

33
Patents

280.313 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.32028 182.2
[M+Na]+ 303.30222 183.5
[M-H]- 279.30572 180.1
[M+NH4]+ 298.34682 198.4
[M+K]+ 319.27616 179.9
[M+H-H2O]+ 263.31026 175.6
[M+HCOO]- 325.31120 199.5
[M+CH3COO]- 339.32685 210.3
[M+Na-2H]- 301.28767 179.2
[M]+ 280.31245 186.8
[M]- 280.31355 186.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.