CID 11161863

9s-methylnonadecane

Structural Information

Molecular Formula

C₂₀H₄₂

SMILES

CCCCCCCCCC[C@@H](C)CCCCCCCC

InChI

InChI=1S/C20H42/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h20H,4-19H2,1-3H3/t20-/m0/s1

InChIKey

FFVPRSKCTDQLBP-FQEVSTJZSA-N

Compound name

(9S)-9-methylnonadecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 282.32864 Da
Monoisotopic Mass: 10.8
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]+	283.33592	183.4
[M+Na]+	305.31786	184.6
[M-H]-	281.32136	181.1
[M+NH4]+	300.36246	199.6
[M+K]+	321.29180	181.1
[M+H-H2O]+	265.32590	176.6
[M+HCOO]-	327.32684	201.5
[M+CH3COO]-	341.34249	210.4
[M+Na-2H]-	303.30331	181.6
[M]+	282.32809	189.3
[M]-	282.32919	189.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe