CID 12410

Hentriacontane

Structural Information

Molecular Formula

C₃₁H₆₄

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3

InChIKey

IUJAMGNYPWYUPM-UHFFFAOYSA-N

Compound name

hentriacontane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 42
References: 62884
Patents: 436.5008 Da
Monoisotopic Mass: 16.4
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]+	437.508076	230.0
[M+Na]+	459.490018	226.8
[M-H]-	435.493524	225.3
[M+NH4]+	454.534623	231.5
[M+K]+	475.463958	220.0
[M+H-H2O]+	419.498060	220.9
[M+HCOO]-	481.499001	246.6
[M+CH3COO]-	495.514651	241.9
[M+Na-2H]-	457.475466	223.7
[M]+	436.50025142	240.8
[M]-	436.50134858	240.8

Literature stripe

literature stripe

Patent stripe

patents stripe