CID 22561416

10-hydroxy-16-hentriacontanone

Structural Information

Molecular Formula

C₃₁H₆₂O₂

SMILES

CCCCCCCCCCCCCCCC(=O)CCCCCC(CCCCCCCCC)O

InChI

InChI=1S/C31H62O2/c1-3-5-7-9-11-12-13-14-15-16-18-20-23-27-31(33)29-25-21-24-28-30(32)26-22-19-17-10-8-6-4-2/h30,32H,3-29H2,1-2H3

InChIKey

QFHNVRXMVIWOFO-UHFFFAOYSA-N

Compound name

10-hydroxyhentriacontan-16-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 466.47498 Da
Monoisotopic Mass: 12.7
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]+	467.48226	236.9
[M+Na]+	489.46420	240.6
[M-H]-	465.46770	218.1
[M+NH4]+	484.50880	232.7
[M+K]+	505.43814	226.7
[M+H-H2O]+	449.47224	228.0
[M+HCOO]-	511.47318	239.8
[M+CH3COO]-	525.48883	243.2
[M+Na-2H]-	487.44965	227.7
[M]+	466.47443	234.9
[M]-	466.47553	234.9

Literature stripe

literature stripe

Patent stripe

patents stripe