CID 227240

20474-93-5

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CC=CC(=O)OCC=C

InChI

InChI=1S/C7H10O2/c1-3-5-7(8)9-6-4-2/h3-5H,2,6H2,1H3

InChIKey

WNJBUWVXSNLWEQ-UHFFFAOYSA-N

Compound name

prop-2-enyl but-2-enoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 3194
Patents: 126.06808 Da
Monoisotopic Mass: 1.6
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]+	127.075356	125.1
[M+Na]+	149.057298	132.8
[M-H]-	125.060804	125.5
[M+NH4]+	144.101903	147.5
[M+K]+	165.031238	132.0
[M+H-H2O]+	109.065340	120.9
[M+HCOO]-	171.066281	148.8
[M+CH3COO]-	185.081931	170.9
[M+Na-2H]-	147.042746	130.7
[M]+	126.06753142	126.8
[M]-	126.06862858	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe