CID 21863049

Eicosatetraenoic acid

Structural Information

Molecular Formula
C20H32O2
SMILES
CCCCCCCCCCC/C=C/C=C/C=C/C=C/C(=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/h12-19H,2-11H2,1H3,(H,21,22)/b13-12+,15-14+,17-16+,19-18+
InChIKey
IQLUYYHUNSSHIY-HZUMYPAESA-N
Compound name
(2E,4E,6E,8E)-icosa-2,4,6,8-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15409
Patents

304.24023 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.247506 182.2
[M+Na]+ 327.229448 184.8
[M-H]- 303.232954 178.8
[M+NH4]+ 322.274053 196.7
[M+K]+ 343.203388 178.3
[M+H-H2O]+ 287.237490 175.8
[M+HCOO]- 349.238431 200.5
[M+CH3COO]- 363.254081 204.5
[M+Na-2H]- 325.214896 180.3
[M]+ 304.23968142 185.3
[M]- 304.24077858 185.3
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