CID 88974877

55674-21-0

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

CC1(CC1)C(=O)C(=O)OC

InChI

InChI=1S/C7H10O3/c1-7(3-4-7)5(8)6(9)10-2/h3-4H2,1-2H3

InChIKey

AUGRYMFUKXDOJI-UHFFFAOYSA-N

Compound name

methyl 2-(1-methylcyclopropyl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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]+	143.07027	129.8
[M+Na]+	165.05221	139.4
[M-H]-	141.05571	135.0
[M+NH4]+	160.09681	148.3
[M+K]+	181.02615	139.3
[M+H-H2O]+	125.06025	125.6
[M+HCOO]-	187.06119	152.3
[M+CH3COO]-	201.07684	177.0
[M+Na-2H]-	163.03766	135.6
[M]+	142.06244	134.7
[M]-	142.06354	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe