CID 71356240

15-hentriacontanol

Structural Information

Molecular Formula

C₃₁H₆₄O

SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)O

InChI

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

InChIKey

NUCHAKFKBXHDNC-UHFFFAOYSA-N

Compound name

hentriacontan-15-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
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	234.5
[M+Na]+	475.48495	230.6
[M-H]-	451.48845	228.4
[M+NH4]+	470.52955	232.1
[M+K]+	491.45889	223.8
[M+H-H2O]+	435.49299	225.5
[M+HCOO]-	497.49393	243.3
[M+CH3COO]-	511.50958	241.6
[M+Na-2H]-	473.47040	226.4
[M]+	452.49518	244.1
[M]-	452.49628	244.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.