CID 85739750

Erythro-7,9-triacontanediol

Structural Information

Molecular Formula
C30H62O2
SMILES
CCCCCCCCCCCCCCCCCCCCCC(CC(CCCCCC)O)O
InChI
InChI=1S/C30H62O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30(32)28-29(31)26-24-8-6-4-2/h29-32H,3-28H2,1-2H3
InChIKey
MIXYSAWRFFFBTD-UHFFFAOYSA-N
Compound name
triacontane-7,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.47498 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.48226 234.2
[M+Na]+ 477.46420 230.0
[M-H]- 453.46770 216.6
[M+NH4]+ 472.50880 229.3
[M+K]+ 493.43814 223.7
[M+H-H2O]+ 437.47224 225.6
[M+HCOO]- 499.47318 236.8
[M+CH3COO]- 513.48883 238.5
[M+Na-2H]- 475.44965 225.0
[M]+ 454.47443 232.9
[M]- 454.47553 232.9
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.