CID 15105

1464-69-3

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

CC(=C)C(=O)OCCOC=C

InChI

InChI=1S/C8H12O3/c1-4-10-5-6-11-8(9)7(2)3/h4H,1-2,5-6H2,3H3

InChIKey

BSNJMDOYCPYHST-UHFFFAOYSA-N

Compound name

2-ethenoxyethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 980
Patents: 156.07864 Da
Monoisotopic Mass: 1.8
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]+	157.085916	132.7
[M+Na]+	179.067858	139.7
[M-H]-	155.071364	133.0
[M+NH4]+	174.112463	153.7
[M+K]+	195.041798	139.4
[M+H-H2O]+	139.075900	128.0
[M+HCOO]-	201.076841	155.3
[M+CH3COO]-	215.092491	177.4
[M+Na-2H]-	177.053306	136.4
[M]+	156.07809142	135.7
[M]-	156.07918858	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe