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: 689
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]+	115.038966	117.9
[M+Na]+	137.020908	128.2
[M-H]-	113.024414	118.2
[M+NH4]+	132.065513	138.4
[M+K]+	152.994848	128.2
[M+H-H2O]+	97.028950	107.8
[M+HCOO]-	159.029891	136.6
[M+CH3COO]-	173.045541	176.7
[M+Na-2H]-	135.006356	124.0
[M]+	114.03114142	115.7
[M]-	114.03223858	115.7

Literature stripe

literature stripe

Patent stripe

patents stripe