CID 101664409

6,8-dotriacontanediol

Structural Information

Molecular Formula
C32H66O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O
InChI
InChI=1S/C32H66O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-32(34)30-31(33)28-26-6-4-2/h31-34H,3-30H2,1-2H3
InChIKey
WTYSXXNRDGTOIT-UHFFFAOYSA-N
Compound name
dotriacontane-6,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.5063 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.51358 242.5
[M+Na]+ 505.49552 245.1
[M-H]- 481.49902 222.9
[M+NH4]+ 500.54012 236.3
[M+K]+ 521.46946 230.7
[M+H-H2O]+ 465.50356 233.6
[M+HCOO]- 527.50450 243.1
[M+CH3COO]- 541.52015 244.2
[M+Na-2H]- 503.48097 232.3
[M]+ 482.50575 239.8
[M]- 482.50685 239.8
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

No patent data available for this compound.