CID 12401

Nonadecane

Structural Information

Molecular Formula

C₁₉H₄₀

SMILES

CCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3

InChIKey

LQERIDTXQFOHKA-UHFFFAOYSA-N

Compound name

nonadecane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 47
References: 37137
Patents: 268.313 Da
Monoisotopic Mass: 9.9
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	177.9
[M+Na]+	291.30222	179.7
[M-H]-	267.30572	175.7
[M+NH4]+	286.34682	194.8
[M+K]+	307.27616	176.1
[M+H-H2O]+	251.31026	171.2
[M+HCOO]-	313.31120	197.4
[M+CH3COO]-	327.32685	206.7
[M+Na-2H]-	289.28767	178.0
[M]+	268.31245	184.2
[M]-	268.31355	184.2

Literature stripe

literature stripe

Patent stripe

patents stripe