CID 24729733

1-(ethoxycarbonyl)-3-cyclopentene-1-carboxylic acid

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

1
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 140.5
[M+Na]+ 207.06278 148.5
[M+NH4]+ 202.10738 148.3
[M+K]+ 223.03672 145.0
[M-H]- 183.06628 139.1
[M+Na-2H]- 205.04823 144.5
[M]+ 184.07301 140.9
[M]- 184.07411 140.9
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