CID 444899

Arachidonic acid

Structural Information

Molecular Formula
C20H32O2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
InChIKey
YZXBAPSDXZZRGB-DOFZRALJSA-N
Compound name
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

29169
References

110918
Patents

304.24023 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 183.2
[M+Na]+ 327.22945 190.3
[M+NH4]+ 322.27405 187.2
[M+K]+ 343.20339 181.7
[M-H]- 303.23295 180.2
[M+Na-2H]- 325.21490 182.1
[M]+ 304.23968 182.8
[M]- 304.24078 182.8
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