CID 544092

Methyl 2-methylcyclopropane-1-carboxylate

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC1CC1C(=O)OC

InChI

InChI=1S/C6H10O2/c1-4-3-5(4)6(7)8-2/h4-5H,3H2,1-2H3

InChIKey

KHHQNCNOFKTABM-UHFFFAOYSA-N

Compound name

methyl 2-methylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 114.06808 Da
Monoisotopic Mass: 1.0
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]+	115.075356	122.2
[M+Na]+	137.057298	132.4
[M-H]-	113.060804	127.5
[M+NH4]+	132.101903	140.4
[M+K]+	153.031238	131.5
[M+H-H2O]+	97.065340	117.0
[M+HCOO]-	159.066281	146.0
[M+CH3COO]-	173.081931	173.7
[M+Na-2H]-	135.042746	128.0
[M]+	114.06753142	126.5
[M]-	114.06862858	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe