CID 105428320

1-(2-oxopropyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10O3
SMILES
CC(=O)CC1(CC1)C(=O)O
InChI
InChI=1S/C7H10O3/c1-5(8)4-7(2-3-7)6(9)10/h2-4H2,1H3,(H,9,10)
InChIKey
RCVKECHCOQFOFF-UHFFFAOYSA-N
Compound name
1-(2-oxopropyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

142.06299 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.070266 129.1
[M+Na]+ 165.052208 138.2
[M-H]- 141.055714 132.8
[M+NH4]+ 160.096813 146.8
[M+K]+ 181.026148 137.2
[M+H-H2O]+ 125.060250 125.1
[M+HCOO]- 187.061191 150.2
[M+CH3COO]- 201.076841 175.1
[M+Na-2H]- 163.037656 134.5
[M]+ 142.06244142 132.3
[M]- 142.06353858 132.3
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