CID 44151232

Triacontatetraenoic acid

Structural Information

Molecular Formula
C30H52O2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C30H52O2/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/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-29H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-
InChIKey
OYFUVVSDGVEUMN-DOFZRALJSA-N
Compound name
(15Z,18Z,21Z,24Z)-triaconta-15,18,21,24-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

444.39673 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.40401 225.2
[M+Na]+ 467.38595 223.6
[M-H]- 443.38945 207.9
[M+NH4]+ 462.43055 220.2
[M+K]+ 483.35989 214.6
[M+H-H2O]+ 427.39399 216.9
[M+HCOO]- 489.39493 233.6
[M+CH3COO]- 503.41058 234.1
[M+Na-2H]- 465.37140 218.2
[M]+ 444.39618 222.0
[M]- 444.39728 222.0
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.