CID 13835

Allyl acrylate

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

C=CCOC(=O)C=C

InChI

InChI=1S/C6H8O2/c1-3-5-8-6(7)4-2/h3-4H,1-2,5H2

InChIKey

QTECDUFMBMSHKR-UHFFFAOYSA-N

Compound name

prop-2-enyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 45358
Patents: 112.05243 Da
Monoisotopic Mass: 1.4
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]+	113.05971	120.2
[M+Na]+	135.04165	128.2
[M-H]-	111.04515	120.8
[M+NH4]+	130.08625	143.1
[M+K]+	151.01559	127.7
[M+H-H2O]+	95.049690	116.1
[M+HCOO]-	157.05063	144.2
[M+CH3COO]-	171.06628	168.5
[M+Na-2H]-	133.02710	126.3
[M]+	112.05188	121.6
[M]-	112.05298	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe