CID 9898830

Ethyl 2-(oxiran-2-yl)acetate

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CCOC(=O)CC1CO1

InChI

InChI=1S/C6H10O3/c1-2-8-6(7)3-5-4-9-5/h5H,2-4H2,1H3

InChIKey

WHUSTVAXKRFVPD-UHFFFAOYSA-N

Compound name

ethyl 2-(oxiran-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 91
Patents: 130.06299 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]+	131.070266	126.7
[M+Na]+	153.052208	136.1
[M-H]-	129.055714	132.3
[M+NH4]+	148.096813	142.8
[M+K]+	169.026148	136.7
[M+H-H2O]+	113.060250	120.8
[M+HCOO]-	175.061191	149.7
[M+CH3COO]-	189.076841	174.5
[M+Na-2H]-	151.037656	134.1
[M]+	130.06244142	132.7
[M]-	130.06353858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe