CID 14262444

(z)-3-oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid

Structural Information

Molecular Formula
C12H16O3
SMILES
CC/C=C/CC1=C(CCC1=O)CC(=O)O
InChI
InChI=1S/C12H16O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4H,2,5-8H2,1H3,(H,14,15)/b4-3+
InChIKey
QAAHGFINENUHAR-ONEGZZNKSA-N
Compound name
2-[3-oxo-2-[(E)-pent-2-enyl]cyclopenten-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.10994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.117216 147.5
[M+Na]+ 231.099158 154.5
[M-H]- 207.102664 149.6
[M+NH4]+ 226.143763 167.7
[M+K]+ 247.073098 151.5
[M+H-H2O]+ 191.107200 142.5
[M+HCOO]- 253.108141 169.1
[M+CH3COO]- 267.123791 184.1
[M+Na-2H]- 229.084606 147.9
[M]+ 208.10939142 148.1
[M]- 208.11048858 148.1
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.