CID 24729733

76910-08-2

Structural Information

Molecular Formula
C9H12O4
SMILES
CCOC(=O)C1(CC=CC1)C(=O)O
InChI
InChI=1S/C9H12O4/c1-2-13-8(12)9(7(10)11)5-3-4-6-9/h3-4H,2,5-6H2,1H3,(H,10,11)
InChIKey
LIIWCZWMZNRZSV-UHFFFAOYSA-N
Compound name
1-ethoxycarbonylcyclopent-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

184.07356 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 139.2
[M+Na]+ 207.06278 146.0
[M-H]- 183.06628 141.5
[M+NH4]+ 202.10738 161.8
[M+K]+ 223.03672 145.5
[M+H-H2O]+ 167.07082 135.0
[M+HCOO]- 229.07176 160.8
[M+CH3COO]- 243.08741 176.0
[M+Na-2H]- 205.04823 142.6
[M]+ 184.07301 139.8
[M]- 184.07411 139.8
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