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

3
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

patents stripe