CID 68345

1-hentriacontanol

Structural Information

Molecular Formula
C31H64O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C31H64O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32/h32H,2-31H2,1H3
InChIKey
ROOBHHSRWJOKSH-UHFFFAOYSA-N
Compound name
hentriacontan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

481
Patents

452.49573 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.50301 232.8
[M+Na]+ 475.48495 229.1
[M-H]- 451.48845 226.7
[M+NH4]+ 470.52955 231.2
[M+K]+ 491.45889 221.9
[M+H-H2O]+ 435.49299 223.8
[M+HCOO]- 497.49393 246.2
[M+CH3COO]- 511.50958 240.9
[M+Na-2H]- 473.47040 226.1
[M]+ 452.49518 243.1
[M]- 452.49628 243.1
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