CID 14718361

Fa(22:6)

Structural Information

Molecular Formula
C22H32O2
SMILES
C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-3,5-6,8-9,11-12,14-15,17-18H,4,7,10,13,16,19-21H2,1H3,(H,23,24)/b3-2-,6-5-,9-8-,12-11-,15-14-,18-17-
InChIKey
GZJLLYHBALOKEX-HJNPUEAESA-N
Compound name
(5Z,8Z,11Z,14Z,17Z,20Z)-docosa-5,8,11,14,17,20-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.24023 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.24751 187.8
[M+Na]+ 351.22945 190.3
[M-H]- 327.23295 184.2
[M+NH4]+ 346.27405 201.3
[M+K]+ 367.20339 182.2
[M+H-H2O]+ 311.23749 181.3
[M+HCOO]- 373.23843 205.9
[M+CH3COO]- 387.25408 207.5
[M+Na-2H]- 349.21490 185.0
[M]+ 328.23968 190.2
[M]- 328.24078 190.2
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.