CID 171117712

21z-insignoic acid b

Structural Information

Molecular Formula
C24H40O3
SMILES
CC/C=C\CCCCCCCCCCCCCC/C=C/C(=O)/C=C/C(=O)O
InChI
InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)21-22-24(26)27/h3-4,19-22H,2,5-18H2,1H3,(H,26,27)/b4-3-,20-19+,22-21+
InChIKey
LEQQVPJWCRETJP-JJVUUHCNSA-N
Compound name
(2E,5E,21Z)-4-oxotetracosa-2,5,21-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.29776 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.30504 203.1
[M+Na]+ 399.28698 203.6
[M-H]- 375.29048 198.9
[M+NH4]+ 394.33158 202.1
[M+K]+ 415.26092 197.1
[M+H-H2O]+ 359.29502 195.7
[M+HCOO]- 421.29596 213.0
[M+CH3COO]- 435.31161 219.7
[M+Na-2H]- 397.27243 197.8
[M]+ 376.29721 208.6
[M]- 376.29831 208.6
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.