CID 19832784

Dotriacontan-16-ol

Structural Information

Molecular Formula
C32H66O
SMILES
CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C32H66O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33H,3-31H2,1-2H3
InChIKey
YSFOANWTNKLWRK-UHFFFAOYSA-N
Compound name
dotriacontan-16-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

466.51135 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.51863 238.6
[M+Na]+ 489.50057 234.4
[M-H]- 465.50407 220.5
[M+NH4]+ 484.54517 235.7
[M+K]+ 505.47451 227.3
[M+H-H2O]+ 449.50861 229.5
[M+HCOO]- 511.50955 246.5
[M+CH3COO]- 525.52520 244.4
[M+Na-2H]- 487.48602 230.1
[M]+ 466.51080 248.6
[M]- 466.51190 248.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe