CID 5282840

4,8,12,16-eicosatetraenoic acid

Structural Information

Molecular Formula
C20H32O2
SMILES
CCC/C=C/CC/C=C/CC/C=C/CC/C=C/CCC(=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/h4-5,8-9,12-13,16-17H,2-3,6-7,10-11,14-15,18-19H2,1H3,(H,21,22)/b5-4+,9-8+,13-12+,17-16+
InChIKey
QSMHRTSIMKYDTO-FFIJXKSSSA-N
Compound name
(4E,8E,12E,16E)-icosa-4,8,12,16-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

304.24023 Da
Monoisotopic Mass

5.7
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

No literature data available for this compound.

Patent stripe

patents stripe