CID 5282841

6,10,14,18-eicosatetraenoic acid

Structural Information

Molecular Formula
C20H32O2
SMILES
C/C=C/CC/C=C/CC/C=C/CC/C=C/CCCCC(=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/h2-3,6-7,10-11,14-15H,4-5,8-9,12-13,16-19H2,1H3,(H,21,22)/b3-2+,7-6+,11-10+,15-14+
InChIKey
GBSVAUZPMIQVJE-OSWCZRQLSA-N
Compound name
(6E,10E,14E,18E)-icosa-6,10,14,18-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

304.24023 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 182.2
[M+Na]+ 327.22945 184.8
[M-H]- 303.23295 178.8
[M+NH4]+ 322.27405 196.7
[M+K]+ 343.20339 178.3
[M+H-H2O]+ 287.23749 175.8
[M+HCOO]- 349.23843 200.5
[M+CH3COO]- 363.25408 204.5
[M+Na-2H]- 325.21490 180.3
[M]+ 304.23968 185.3
[M]- 304.24078 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