CID 12183201

5-amino-1,3-diazinan-2-one hydrochloride

Structural Information

Molecular Formula
C4H9N3O
SMILES
C1C(CNC(=O)N1)N
InChI
InChI=1S/C4H9N3O/c5-3-1-6-4(8)7-2-3/h3H,1-2,5H2,(H2,6,7,8)
InChIKey
BGQQCSHGWNMNGZ-UHFFFAOYSA-N
Compound name
5-amino-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.07456 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.081836 124.1
[M+Na]+ 138.063778 130.1
[M-H]- 114.067284 121.4
[M+NH4]+ 133.108383 141.9
[M+K]+ 154.037718 127.5
[M+H-H2O]+ 98.071820 117.7
[M+HCOO]- 160.072761 141.1
[M+CH3COO]- 174.088411 164.0
[M+Na-2H]- 136.049226 129.4
[M]+ 115.07401142 114.5
[M]- 115.07510858 114.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.