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: 35858
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]+	269.320276	177.9
[M+Na]+	291.302218	179.7
[M-H]-	267.305724	175.7
[M+NH4]+	286.346823	194.8
[M+K]+	307.276158	176.1
[M+H-H2O]+	251.310260	171.2
[M+HCOO]-	313.311201	197.4
[M+CH3COO]-	327.326851	206.7
[M+Na-2H]-	289.287666	178.0
[M]+	268.31245142	184.2
[M]-	268.31354858	184.2

Literature stripe

literature stripe

Patent stripe

patents stripe