CID 61319

Allyl propionate

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CCC(=O)OCC=C

InChI

InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3

InChIKey

XRFWKHVQMACVTA-UHFFFAOYSA-N

Compound name

prop-2-enyl propanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 2902
Patents: 114.06808 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]+	115.07536	123.2
[M+Na]+	137.05730	133.6
[M+NH4]+	132.10190	130.8
[M+K]+	153.03124	128.3
[M-H]-	113.06080	122.1
[M+Na-2H]-	135.04275	126.8
[M]+	114.06753	124.1
[M]-	114.06863	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe