CID 163618

93942-70-2

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CC(=C)C(=O)OC(=C)C

InChI

InChI=1S/C7H10O2/c1-5(2)7(8)9-6(3)4/h1,3H2,2,4H3

InChIKey

PKFBISBCCISXKA-UHFFFAOYSA-N

Compound name

prop-1-en-2-yl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 218
Patents: 126.06808 Da
Monoisotopic Mass: 1.9
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	124.8
[M+Na]+	149.057298	132.0
[M-H]-	125.060804	125.4
[M+NH4]+	144.101903	147.0
[M+K]+	165.031238	132.0
[M+H-H2O]+	109.065340	120.7
[M+HCOO]-	171.066281	146.4
[M+CH3COO]-	185.081931	173.3
[M+Na-2H]-	147.042746	127.8
[M]+	126.06753142	125.3
[M]-	126.06862858	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe