CID 170914725

Methyl 2-methyl-3-oxocyclobutane-1-carboxylate

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

CC1C(CC1=O)C(=O)OC

InChI

InChI=1S/C7H10O3/c1-4-5(3-6(4)8)7(9)10-2/h4-5H,3H2,1-2H3

InChIKey

RDMSBMJLZCISBX-UHFFFAOYSA-N

Compound name

methyl 2-methyl-3-oxocyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.06299 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]+	143.070266	124.2
[M+Na]+	165.052208	131.3
[M-H]-	141.055714	128.3
[M+NH4]+	160.096813	139.6
[M+K]+	181.026148	134.5
[M+H-H2O]+	125.060250	114.8
[M+HCOO]-	187.061191	146.0
[M+CH3COO]-	201.076841	178.4
[M+Na-2H]-	163.037656	128.1
[M]+	142.06244142	134.5
[M]-	142.06353858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.