CID 171119142

7z,10z,13z,16z-eicosatraenoic acid

Structural Information

Molecular Formula
C20H32O2
SMILES
CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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/h4-5,7-8,10-11,13-14H,2-3,6,9,12,15-19H2,1H3,(H,21,22)/b5-4-,8-7-,11-10-,14-13-
InChIKey
QCPSKUPOPPPLSP-GJDCDIHCSA-N
Compound name
(7Z,10Z,13Z,16Z)-icosa-7,10,13,16-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 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

No patent data available for this compound.