CID 52921809

15z,18z,21z,24z,27z-triacontapentaenoic acid

Structural Information

Molecular Formula
C30H50O2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C30H50O2/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/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-29H2,1H3,(H,31,32)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKey
WGXVWUXXHNEMLO-JLNKQSITSA-N
Compound name
(15Z,18Z,21Z,24Z,27Z)-triaconta-15,18,21,24,27-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.38107 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.38835 223.6
[M+Na]+ 465.37029 222.4
[M-H]- 441.37379 206.7
[M+NH4]+ 460.41489 218.4
[M+K]+ 481.34423 212.8
[M+H-H2O]+ 425.37833 215.5
[M+HCOO]- 487.37927 232.4
[M+CH3COO]- 501.39492 232.8
[M+Na-2H]- 463.35574 216.6
[M]+ 442.38052 219.7
[M]- 442.38162 219.7
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.