CID 137020

1469-70-1

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CCOC(=O)OCC=C

InChI

InChI=1S/C6H10O3/c1-3-5-9-6(7)8-4-2/h3H,1,4-5H2,2H3

InChIKey

BGSFCOHRQUBESL-UHFFFAOYSA-N

Compound name

ethyl prop-2-enyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8002
Patents: 130.06299 Da
Monoisotopic Mass: 1.5
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]+	131.070266	125.0
[M+Na]+	153.052208	132.8
[M-H]-	129.055714	125.6
[M+NH4]+	148.096813	147.3
[M+K]+	169.026148	133.3
[M+H-H2O]+	113.060250	120.6
[M+HCOO]-	175.061191	149.1
[M+CH3COO]-	189.076841	170.8
[M+Na-2H]-	151.037656	131.1
[M]+	130.06244142	128.6
[M]-	130.06353858	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe