CID 21750136

Triacontan-1,14-diol

Structural Information

Molecular Formula
C30H62O2
SMILES
CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCO)O
InChI
InChI=1S/C30H62O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-27-30(32)28-25-22-19-16-13-11-14-17-20-23-26-29-31/h30-32H,2-29H2,1H3
InChIKey
DBWJFBCQGPOUKF-UHFFFAOYSA-N
Compound name
triacontane-1,14-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

454.47498 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.48226 232.8
[M+Na]+ 477.46420 228.8
[M-H]- 453.46770 225.5
[M+NH4]+ 472.50880 228.4
[M+K]+ 493.43814 222.0
[M+H-H2O]+ 437.47224 224.1
[M+HCOO]- 499.47318 239.8
[M+CH3COO]- 513.48883 237.8
[M+Na-2H]- 475.44965 224.9
[M]+ 454.47443 241.5
[M]- 454.47553 241.5
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