CID 132472312

7-oxo-dpan-3(1-)

Structural Information

Molecular Formula
C22H32O3
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(=O)CCCCCC(=O)O
InChI
InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)19-16-14-17-20-22(24)25/h3-4,6-7,9-10,12-13,15,18H,2,5,8,11,14,16-17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,18-15+
InChIKey
RKEURGZEFPAQNB-FHMCMKDHSA-N
Compound name
(8E,10Z,13Z,16Z,19Z)-7-oxodocosa-8,10,13,16,19-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

344.23514 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.24242 191.1
[M+Na]+ 367.22436 193.2
[M-H]- 343.22786 187.5
[M+NH4]+ 362.26896 203.7
[M+K]+ 383.19830 186.0
[M+H-H2O]+ 327.23240 184.4
[M+HCOO]- 389.23334 208.3
[M+CH3COO]- 403.24899 210.9
[M+Na-2H]- 365.20981 187.0
[M]+ 344.23459 194.3
[M]- 344.23569 194.3
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.