CID 89405

Ethyl 2-methylcyclopropane-1-carboxylate

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CCOC(=O)C1CC1C

InChI

InChI=1S/C7H12O2/c1-3-9-7(8)6-4-5(6)2/h5-6H,3-4H2,1-2H3

InChIKey

JWYSLVLBKXDZCW-UHFFFAOYSA-N

Compound name

ethyl 2-methylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 128.08372 Da
Monoisotopic Mass: 1.4
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]+	129.09100	126.5
[M+Na]+	151.07294	138.6
[M+NH4]+	146.11754	135.2
[M+K]+	167.04688	135.1
[M-H]-	127.07644	134.0
[M+Na-2H]-	149.05839	133.7
[M]+	128.08317	131.3
[M]-	128.08427	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe