CID 76122

Methyl cyclopropanecarboxylate

Structural Information

Molecular Formula

C₅H₈O₂

SMILES

COC(=O)C1CC1

InChI

InChI=1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3

InChIKey

PKAHQJNJPDVTDP-UHFFFAOYSA-N

Compound name

methyl cyclopropanecarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4784
Patents: 100.05243 Da
Monoisotopic Mass: 0.6
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]+	101.05971	118.8
[M+Na]+	123.04165	128.6
[M-H]-	99.045154	124.0
[M+NH4]+	118.08625	137.3
[M+K]+	139.01559	128.0
[M+H-H2O]+	83.049690	113.5
[M+HCOO]-	145.05063	143.0
[M+CH3COO]-	159.06628	169.8
[M+Na-2H]-	121.02710	125.8
[M]+	100.05188	122.4
[M]-	100.05298	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe