CID 77385508

6-amino-1,4-oxazepan-5-one hydrochloride

Structural Information

Molecular Formula

C₅H₁₀N₂O₂

SMILES

C1COCC(C(=O)N1)N

InChI

InChI=1S/C5H10N2O2/c6-4-3-9-2-1-7-5(4)8/h4H,1-3,6H2,(H,7,8)

InChIKey

WRUMOCUMNFEQKU-UHFFFAOYSA-N

Compound name

6-amino-1,4-oxazepan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.07423 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]+	131.08151	125.2
[M+Na]+	153.06345	132.7
[M+NH4]+	148.10805	131.6
[M+K]+	169.03739	130.6
[M-H]-	129.06695	126.5
[M+Na-2H]-	151.04890	128.6
[M]+	130.07368	126.2
[M]-	130.07478	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.