CID 5282778

23z-dotriacontenoic acid

Structural Information

Molecular Formula
C32H62O2
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCC(=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/h9-10H,2-8,11-31H2,1H3,(H,33,34)/b10-9-
InChIKey
ZCNLBPFYKVLOAJ-KTKRTIGZSA-N
Compound name
(Z)-dotriacont-23-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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.