CID 9548843

Hentriacontan-16-ol

Structural Information

Molecular Formula
C31H64O
SMILES
CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C31H64O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3
InChIKey
CLDFUWPQRCVRHQ-UHFFFAOYSA-N
Compound name
hentriacontan-16-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

452.49573 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe