CID 171118568

Dotriaconta-23z,26z,29z-trienoic acid

Structural Information

Molecular Formula
C32H58O2
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C32H58O2/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/h3-4,6-7,9-10H,2,5,8,11-31H2,1H3,(H,33,34)/b4-3-,7-6-,10-9-
InChIKey
PSHFCOSGYXNDFG-PDBXOOCHSA-N
Compound name
(23Z,26Z,29Z)-dotriaconta-23,26,29-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.4437 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.45098 235.1
[M+Na]+ 497.43292 238.7
[M-H]- 473.43642 215.6
[M+NH4]+ 492.47752 229.0
[M+K]+ 513.40686 223.4
[M+H-H2O]+ 457.44096 226.3
[M+HCOO]- 519.44190 241.3
[M+CH3COO]- 533.45755 241.3
[M+Na-2H]- 495.41837 227.0
[M]+ 474.44315 231.2
[M]- 474.44425 231.2
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.