CID 83778

Propargyl methacrylate

Structural Information

Molecular Formula

C₇H₈O₂

SMILES

CC(=C)C(=O)OCC#C

InChI

InChI=1S/C7H8O2/c1-4-5-9-7(8)6(2)3/h1H,2,5H2,3H3

InChIKey

PZAWASVJOPLHCJ-UHFFFAOYSA-N

Compound name

prop-2-ynyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 1805
Patents: 124.05243 Da
Monoisotopic Mass: 1.2
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]+	125.059706	124.3
[M+Na]+	147.041648	133.8
[M-H]-	123.045154	124.3
[M+NH4]+	142.086253	144.2
[M+K]+	163.015588	132.6
[M+H-H2O]+	107.049690	114.1
[M+HCOO]-	169.050631	141.4
[M+CH3COO]-	183.066281	180.8
[M+Na-2H]-	145.027096	128.1
[M]+	124.05188142	120.2
[M]-	124.05297858	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe