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

6
Patents

442.38107 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.388346 223.6
[M+Na]+ 465.370288 222.4
[M-H]- 441.373794 206.7
[M+NH4]+ 460.414893 218.4
[M+K]+ 481.344228 212.8
[M+H-H2O]+ 425.378330 215.5
[M+HCOO]- 487.379271 232.4
[M+CH3COO]- 501.394921 232.8
[M+Na-2H]- 463.355736 216.6
[M]+ 442.38052142 219.7
[M]- 442.38161858 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

patents stripe