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]+ 209.11722 147.5
[M+Na]+ 231.09916 154.5
[M-H]- 207.10266 149.6
[M+NH4]+ 226.14376 167.7
[M+K]+ 247.07310 151.5
[M+H-H2O]+ 191.10720 142.5
[M+HCOO]- 253.10814 169.1
[M+CH3COO]- 267.12379 184.1
[M+Na-2H]- 229.08461 147.9
[M]+ 208.10939 148.1
[M]- 208.11049 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.