CID 72715842

90780-46-4

Structural Information

Molecular Formula
C22H32O3
SMILES
C(CC(=O)O)/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCO
InChI
InChI=1S/C22H32O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h2-5,8-11,14-17,23H,1,6-7,12-13,18-21H2,(H,24,25)/b4-2-,5-3-,10-8-,11-9-,16-14-,17-15-
InChIKey
DTRUULZFBQUZPD-OAKYPOHLSA-N
Compound name
(4Z,7Z,10Z,13Z,16Z,19Z)-22-hydroxydocosa-4,7,10,13,16,19-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

344.23514 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.24242 193.4
[M+Na]+ 367.22436 199.2
[M+NH4]+ 362.26896 188.4
[M+K]+ 383.19830 190.8
[M-H]- 343.22786 188.8
[M+Na-2H]- 365.20981 190.6
[M]+ 344.23459 192.1
[M]- 344.23569 192.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe