CID 11593431

1-(oxiran-2-yl)ethan-1-ol

Structural Information

Molecular Formula

C₄H₈O₂

SMILES

CC(C1CO1)O

InChI

InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3

InChIKey

LEJLUUHSOFWJSW-UHFFFAOYSA-N

Compound name

1-(oxiran-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 542
Patents: 88.05243 Da
Monoisotopic Mass: -0.3
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	114.5
[M+Na]+	111.04165	123.9
[M-H]-	87.045154	119.0
[M+NH4]+	106.08625	131.5
[M+K]+	127.01559	124.4
[M+H-H2O]+	71.049690	109.2
[M+HCOO]-	133.05063	136.3
[M+CH3COO]-	147.06628	165.7
[M+Na-2H]-	109.02710	122.7
[M]+	88.051881	117.3
[M]-	88.052979	117.3

Literature stripe

literature stripe

Patent stripe

patents stripe