CID 21427413

54924-47-9

Structural Information

Molecular Formula

C₄H₈N₂O₂

SMILES

C1CN(C(=O)OC1)N

InChI

InChI=1S/C4H8N2O2/c5-6-2-1-3-8-4(6)7/h1-3,5H2

InChIKey

PISNODKEJUFUNQ-UHFFFAOYSA-N

Compound name

3-amino-1,3-oxazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 116.05858 Da
Monoisotopic Mass: -0.5
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]+	117.06586	120.8
[M+Na]+	139.04780	127.6
[M-H]-	115.05130	123.1
[M+NH4]+	134.09240	140.1
[M+K]+	155.02174	128.4
[M+H-H2O]+	99.055840	114.7
[M+HCOO]-	161.05678	141.5
[M+CH3COO]-	175.07243	168.3
[M+Na-2H]-	137.03325	128.1
[M]+	116.05803	116.5
[M]-	116.05913	116.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe