CID 96117

1-dotriacontanol

Structural Information

Molecular Formula
C32H66O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C32H66O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h33H,2-32H2,1H3
InChIKey
QOEHNLSDMADWEF-UHFFFAOYSA-N
Compound name
dotriacontan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

1599
Patents

466.51135 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.51863 235.4
[M+Na]+ 489.50057 240.6
[M+NH4]+ 484.54517 234.5
[M+K]+ 505.47451 236.9
[M-H]- 465.50407 217.7
[M+Na-2H]- 487.48602 232.7
[M]+ 466.51080 235.4
[M]- 466.51190 235.4
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