CID 544234

Ethyl 1-methylcyclopropanecarboxylate

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CCOC(=O)C1(CC1)C

InChI

InChI=1S/C7H12O2/c1-3-9-6(8)7(2)4-5-7/h3-5H2,1-2H3

InChIKey

IZPYNZLFBUQGCZ-UHFFFAOYSA-N

Compound name

ethyl 1-methylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 128.08372 Da
Monoisotopic Mass: 1.3
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	129.1
[M+Na]+	151.07294	141.1
[M+NH4]+	146.11754	139.3
[M+K]+	167.04688	135.7
[M-H]-	127.07644	136.8
[M+Na-2H]-	149.05839	137.9
[M]+	128.08317	134.2
[M]-	128.08427	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe