CID 168712

27613-77-0

Structural Information

Molecular Formula

C₄H₈O₃

SMILES

C=C(O)OCCO

InChI

InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5-6H,1-3H2

InChIKey

JVDUNKGVVTYHCB-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethoxy)ethenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 42
Patents: 104.04734 Da
Monoisotopic Mass: 0.0
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]+	105.054616	118.9
[M+Na]+	127.036558	126.1
[M-H]-	103.040064	116.7
[M+NH4]+	122.081163	140.6
[M+K]+	143.010498	125.8
[M+H-H2O]+	87.044600	115.1
[M+HCOO]-	149.045541	140.3
[M+CH3COO]-	163.061191	161.6
[M+Na-2H]-	125.022006	124.7
[M]+	104.04679142	118.6
[M]-	104.04788858	118.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe