CID 52921805

21z,24z,27z,30z-hexatriacontatetraenoic acid

Structural Information

Molecular Formula
C36H64O2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C36H64O2/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/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-35H2,1H3,(H,37,38)/b7-6-,10-9-,13-12-,16-15-
InChIKey
PEMVOZOAPAFWKW-DOFZRALJSA-N
Compound name
(21Z,24Z,27Z,30Z)-hexatriaconta-21,24,27,30-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.49066 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.49794 243.6
[M+Na]+ 551.47988 250.3
[M-H]- 527.48338 226.6
[M+NH4]+ 546.52448 240.9
[M+K]+ 567.45382 249.8
[M+H-H2O]+ 511.48792 242.1
[M+HCOO]- 573.48886 252.3
[M+CH3COO]- 587.50451 251.5
[M+Na-2H]- 549.46533 228.5
[M]+ 528.49011 242.3
[M]- 528.49121 242.3
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

No patent data available for this compound.