CID 59620516

1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

158.0579 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 132.8
[M+Na]+ 181.047118 141.9
[M-H]- 157.050624 136.5
[M+NH4]+ 176.091723 149.9
[M+K]+ 197.021058 141.2
[M+H-H2O]+ 141.055160 128.7
[M+HCOO]- 203.056101 154.0
[M+CH3COO]- 217.071751 176.4
[M+Na-2H]- 179.032566 138.1
[M]+ 158.05735142 137.3
[M]- 158.05844858 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

No literature data available for this compound.

Patent stripe

patents stripe