CID 85627141

14-hentriacontanol

Structural Information

Molecular Formula

C₃₁H₆₄O

SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCC)O

InChI

InChI=1S/C31H64O/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-31(32)29-27-25-23-21-19-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3

InChIKey

ZXEVGDLZXWFDLA-UHFFFAOYSA-N

Compound name

hentriacontan-14-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 452.49573 Da
Monoisotopic Mass: 15.1
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]+	453.50301	231.5
[M+Na]+	475.48495	236.5
[M+NH4]+	470.52955	232.8
[M+K]+	491.45889	234.1
[M-H]-	451.48845	216.6
[M+Na-2H]-	473.47040	228.7
[M]+	452.49518	231.4
[M]-	452.49628	231.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.