CID 21774064

5z,9z,25z-triacontatrienoic acid

Structural Information

Molecular Formula
C30H54O2
SMILES
CCCC/C=C\CCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C30H54O2/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/h5-6,21-22,25-26H,2-4,7-20,23-24,27-29H2,1H3,(H,31,32)/b6-5-,22-21-,26-25-
InChIKey
HGMWSICOJSCIMV-POJZFQNESA-N
Compound name
(5Z,9Z,25Z)-triaconta-5,9,25-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.41238 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.41966 226.8
[M+Na]+ 469.40160 224.8
[M-H]- 445.40510 209.3
[M+NH4]+ 464.44620 222.0
[M+K]+ 485.37554 216.4
[M+H-H2O]+ 429.40964 218.4
[M+HCOO]- 491.41058 234.9
[M+CH3COO]- 505.42623 235.5
[M+Na-2H]- 467.38705 219.7
[M]+ 446.41183 224.3
[M]- 446.41293 224.3
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.