CID 6658

Methyl methacrylate

Structural Information

Molecular Formula

C₅H₈O₂

SMILES

CC(=C)C(=O)OC

InChI

InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3

InChIKey

VVQNEPGJFQJSBK-UHFFFAOYSA-N

Compound name

methyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2763
References: 194053
Patents: 100.05243 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]+	101.05971	117.2
[M+Na]+	123.04165	125.2
[M-H]-	99.045154	118.1
[M+NH4]+	118.08625	140.6
[M+K]+	139.01559	125.9
[M+H-H2O]+	83.049690	113.3
[M+HCOO]-	145.05063	140.3
[M+CH3COO]-	159.06628	167.3
[M+Na-2H]-	121.02710	122.6
[M]+	100.05188	118.3
[M]-	100.05298	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe