CID 171116389

Delta4-dinor-iso-opda

Structural Information

Molecular Formula
C16H22O3
SMILES
CC/C=C\CC1=C(CCC1=O)C/C=C\CCC(=O)O
InChI
InChI=1S/C16H22O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3-6H,2,7-12H2,1H3,(H,18,19)/b5-3-,6-4-
InChIKey
KBQRTKOXXDXPKW-GLIMQPGKSA-N
Compound name
(Z)-6-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]hex-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16418 164.8
[M+Na]+ 285.14612 170.4
[M-H]- 261.14962 166.1
[M+NH4]+ 280.19072 182.8
[M+K]+ 301.12006 165.8
[M+H-H2O]+ 245.15416 159.0
[M+HCOO]- 307.15510 185.2
[M+CH3COO]- 321.17075 194.7
[M+Na-2H]- 283.13157 163.0
[M]+ 262.15635 166.0
[M]- 262.15745 166.0
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.