CID 59620516

1889271-18-4

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe