CID 52921870

5z,8z,11z-eicosatrienedioic acid

Structural Information

Molecular Formula
C20H32O4
SMILES
C(CC/C=C\C/C=C\CCCCC(=O)O)C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H32O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1,3,7,9-10,12H,2,4-6,8,11,13-18H2,(H,21,22)(H,23,24)/b3-1-,9-7-,12-10-
InChIKey
XXBTWFRPYVFWSA-USRXDSLMSA-N
Compound name
(5Z,11Z,14Z)-icosa-5,11,14-trienedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.23007 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23735 188.6
[M+Na]+ 359.21929 190.2
[M-H]- 335.22279 183.6
[M+NH4]+ 354.26389 200.6
[M+K]+ 375.19323 184.4
[M+H-H2O]+ 319.22733 181.9
[M+HCOO]- 381.22827 204.7
[M+CH3COO]- 395.24392 207.3
[M+Na-2H]- 357.20474 184.9
[M]+ 336.22952 192.0
[M]- 336.23062 192.0
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.