CID 10898684

Methyl prop-2-ynyl carbonate

Structural Information

Molecular Formula

C₅H₆O₃

SMILES

COC(=O)OCC#C

InChI

InChI=1S/C5H6O3/c1-3-4-8-5(6)7-2/h1H,4H2,2H3

InChIKey

AUUBCQYRIBDKHO-UHFFFAOYSA-N

Compound name

methyl prop-2-ynyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 466
Patents: 114.03169 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]+	115.03897	119.8
[M+Na]+	137.02091	130.0
[M+NH4]+	132.06551	123.7
[M+K]+	152.99485	122.9
[M-H]-	113.02441	110.8
[M+Na-2H]-	135.00636	121.0
[M]+	114.03114	117.6
[M]-	114.03224	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe