CID 171118569

Tetratriaconta-25z,28z,31z-trienoic acid

Structural Information

Molecular Formula
C34H62O2
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C34H62O2/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(35)36/h3-4,6-7,9-10H,2,5,8,11-33H2,1H3,(H,35,36)/b4-3-,7-6-,10-9-
InChIKey
YTLLFHAHGUFQRS-PDBXOOCHSA-N
Compound name
(25Z,28Z,31Z)-tetratriaconta-25,28,31-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.47498 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.48226 238.9
[M+Na]+ 525.46420 245.4
[M-H]- 501.46770 221.8
[M+NH4]+ 520.50880 236.0
[M+K]+ 541.43814 244.5
[M+H-H2O]+ 485.47224 237.6
[M+HCOO]- 547.47318 247.5
[M+CH3COO]- 561.48883 247.1
[M+Na-2H]- 523.44965 224.2
[M]+ 502.47443 238.0
[M]- 502.47553 238.0
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.