CID 171118570

Hexatriaconta-27z,30z,33z-trienoic acid

Structural Information

Molecular Formula
C36H66O2
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C36H66O2/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(37)38/h3-4,6-7,9-10H,2,5,8,11-35H2,1H3,(H,37,38)/b4-3-,7-6-,10-9-
InChIKey
UOCHRUUPVFIVEF-PDBXOOCHSA-N
Compound name
(27Z,30Z,33Z)-hexatriaconta-27,30,33-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.5063 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.51358 245.8
[M+Na]+ 553.49552 251.9
[M-H]- 529.49902 228.0
[M+NH4]+ 548.54012 242.8
[M+K]+ 569.46946 251.9
[M+H-H2O]+ 513.50356 244.3
[M+HCOO]- 575.50450 253.7
[M+CH3COO]- 589.52015 252.8
[M+Na-2H]- 551.48097 230.2
[M]+ 530.50575 244.7
[M]- 530.50685 244.7
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.