CID 18370816

519164-14-8

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

CCOC(=O)C(=O)C1CC1

InChI

InChI=1S/C7H10O3/c1-2-10-7(9)6(8)5-3-4-5/h5H,2-4H2,1H3

InChIKey

AIXRDYQKFOHJBO-UHFFFAOYSA-N

Compound name

ethyl 2-cyclopropyl-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 142.06299 Da
Monoisotopic Mass: 0.8
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]+	143.070266	129.5
[M+Na]+	165.052208	138.4
[M-H]-	141.055714	134.3
[M+NH4]+	160.096813	146.1
[M+K]+	181.026148	137.4
[M+H-H2O]+	125.060250	123.8
[M+HCOO]-	187.061191	152.4
[M+CH3COO]-	201.076841	177.4
[M+Na-2H]-	163.037656	134.2
[M]+	142.06244142	133.9
[M]-	142.06353858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe