CID 52919352

17z,20z,23z,26z-dotriacontatetraenoic acid

Structural Information

Molecular Formula
C32H56O2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C32H56O2/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/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-31H2,1H3,(H,33,34)/b7-6-,10-9-,13-12-,16-15-
InChIKey
MJHWTWLEKCSGAR-DOFZRALJSA-N
Compound name
(17Z,20Z,23Z,26Z)-dotriaconta-17,20,23,26-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

472.42804 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.43532 233.6
[M+Na]+ 495.41726 237.1
[M-H]- 471.42076 214.2
[M+NH4]+ 490.46186 227.2
[M+K]+ 511.39120 221.6
[M+H-H2O]+ 455.42530 224.9
[M+HCOO]- 517.42624 239.9
[M+CH3COO]- 531.44189 240.0
[M+Na-2H]- 493.40271 225.5
[M]+ 472.42749 228.8
[M]- 472.42859 228.8
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

patents stripe