CID 177801620

1-amino-6-oxa-3-azabicyclo[3.2.1]octan-2-one hydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

C1C2CNC(=O)C1(CO2)N

InChI

InChI=1S/C6H10N2O2/c7-6-1-4(10-3-6)2-8-5(6)9/h4H,1-3,7H2,(H,8,9)

InChIKey

XPQIKIQOHYCBKS-UHFFFAOYSA-N

Compound name

1-amino-6-oxa-3-azabicyclo[3.2.1]octan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.07423 Da
Monoisotopic Mass: -1.7
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]+	143.081506	126.3
[M+Na]+	165.063448	133.6
[M-H]-	141.066954	126.6
[M+NH4]+	160.108053	149.3
[M+K]+	181.037388	132.5
[M+H-H2O]+	125.071490	121.7
[M+HCOO]-	187.072431	143.7
[M+CH3COO]-	201.088081	170.5
[M+Na-2H]-	163.048896	134.1
[M]+	142.07368142	121.4
[M]-	142.07477858	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.