CID 131750909

8-dotriacontenoic acid

Structural Information

Molecular Formula
C32H62O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCC/C=C/CCCCCCC(=O)O
InChI
InChI=1S/C32H62O2/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)34/h24-25H,2-23,26-31H2,1H3,(H,33,34)/b25-24+
InChIKey
FIVMSLMTKGJUEI-OCOZRVBESA-N
Compound name
(E)-dotriacont-8-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.47498 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.48226 238.2
[M+Na]+ 501.46420 242.2
[M-H]- 477.46770 218.7
[M+NH4]+ 496.50880 233.1
[M+K]+ 517.43814 226.9
[M+H-H2O]+ 461.47224 229.1
[M+HCOO]- 523.47318 244.3
[M+CH3COO]- 537.48883 244.0
[M+Na-2H]- 499.44965 229.9
[M]+ 478.47443 236.3
[M]- 478.47553 236.3
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