CID 56936055

(5s)-methyloctadecane

Structural Information

Molecular Formula

C₁₉H₄₀

SMILES

CCCCCCCCCCCCC[C@@H](C)CCCC

InChI

InChI=1S/C19H40/c1-4-6-8-9-10-11-12-13-14-15-16-18-19(3)17-7-5-2/h19H,4-18H2,1-3H3/t19-/m0/s1

InChIKey

FRVYSTFGTANOHG-IBGZPJMESA-N

Compound name

(5S)-5-methyloctadecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.313 Da
Monoisotopic Mass: 10.2
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]+	269.32028	178.9
[M+Na]+	291.30222	180.5
[M-H]-	267.30572	176.8
[M+NH4]+	286.34682	195.7
[M+K]+	307.27616	177.3
[M+H-H2O]+	251.31026	172.3
[M+HCOO]-	313.31120	197.3
[M+CH3COO]-	327.32685	207.4
[M+Na-2H]-	289.28767	177.7
[M]+	268.31245	184.5
[M]-	268.31355	184.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe