CID 119097635

31865-21-1

Structural Information

Molecular Formula

SMILES

CC(=O)N1CC2C(C1)O2

InChI

InChI=1S/C6H9NO2/c1-4(8)7-2-5-6(3-7)9-5/h5-6H,2-3H2,1H3

InChIKey

IKWPGVGGCWKMDB-UHFFFAOYSA-N

Compound name

1-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 127.06333 Da
Monoisotopic Mass: -0.7
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]+	128.07061	126.6
[M+Na]+	150.05255	138.3
[M+NH4]+	145.09715	135.6
[M+K]+	166.02649	137.1
[M-H]-	126.05605	134.8
[M+Na-2H]-	148.03800	131.9
[M]+	127.06278	131.5
[M]-	127.06388	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe