CID 11789472

1-(ethoxycarbonyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C7H10O4
SMILES
CCOC(=O)C1(CC1)C(=O)O
InChI
InChI=1S/C7H10O4/c1-2-11-6(10)7(3-4-7)5(8)9/h2-4H2,1H3,(H,8,9)
InChIKey
QQUZUWSSLUHHBP-UHFFFAOYSA-N
Compound name
1-ethoxycarbonylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

471
Patents

158.0579 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 132.8
[M+Na]+ 181.04712 141.9
[M-H]- 157.05062 136.5
[M+NH4]+ 176.09172 149.9
[M+K]+ 197.02106 141.2
[M+H-H2O]+ 141.05516 128.7
[M+HCOO]- 203.05610 154.0
[M+CH3COO]- 217.07175 176.4
[M+Na-2H]- 179.03257 138.1
[M]+ 158.05735 137.3
[M]- 158.05845 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe