CID 11559293

7-hdope(n-3)(1-)

Structural Information

Molecular Formula
C22H34O3
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(CCCCCC(=O)O)O
InChI
InChI=1S/C22H34O3/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/h3-4,6-7,9-10,12-13,15,18,21,23H,2,5,8,11,14,16-17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,18-15+
InChIKey
QVCGPPHEKAYGRO-FHMCMKDHSA-N
Compound name
(8E,10Z,13Z,16Z,19Z)-7-hydroxydocosa-8,10,13,16,19-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

346.2508 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.25808 194.2
[M+Na]+ 369.24002 199.6
[M+NH4]+ 364.28462 192.1
[M+K]+ 385.21396 192.1
[M-H]- 345.24352 189.5
[M+Na-2H]- 367.22547 191.1
[M]+ 346.25025 192.8
[M]- 346.25135 192.8
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