CID 12995

2-(vinyloxy)ethanol

Structural Information

Molecular Formula

C₄H₈O₂

SMILES

C=COCCO

InChI

InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2

InChIKey

VUIWJRYTWUGOOF-UHFFFAOYSA-N

Compound name

2-ethenoxyethanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 13
References: 42082
Patents: 88.05243 Da
Monoisotopic Mass: 0.1
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]+	89.059706	114.7
[M+Na]+	111.04165	122.6
[M-H]-	87.045154	113.9
[M+NH4]+	106.08625	137.8
[M+K]+	127.01559	122.4
[M+H-H2O]+	71.049690	110.9
[M+HCOO]-	133.05063	138.3
[M+CH3COO]-	147.06628	161.4
[M+Na-2H]-	109.02710	122.4
[M]+	88.051881	115.5
[M]-	88.052979	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe