CID 317445

2-(ethoxycarbonyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10O4
SMILES
CCOC(=O)C1CC1C(=O)O
InChI
InChI=1S/C7H10O4/c1-2-11-7(10)5-3-4(5)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)
InChIKey
BRVQFDJETHFEQY-UHFFFAOYSA-N
Compound name
2-ethoxycarbonylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

351
Patents

158.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 131.1
[M+Na]+ 181.04712 140.5
[M-H]- 157.05062 134.9
[M+NH4]+ 176.09172 146.7
[M+K]+ 197.02106 138.7
[M+H-H2O]+ 141.05516 125.9
[M+HCOO]- 203.05610 152.7
[M+CH3COO]- 217.07175 178.0
[M+Na-2H]- 179.03257 134.8
[M]+ 158.05735 135.6
[M]- 158.05845 135.6
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