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]+ 116.08184 124.1
[M+Na]+ 138.06378 130.1
[M-H]- 114.06728 121.4
[M+NH4]+ 133.10838 141.9
[M+K]+ 154.03772 127.5
[M+H-H2O]+ 98.071820 117.7
[M+HCOO]- 160.07276 141.1
[M+CH3COO]- 174.08841 164.0
[M+Na-2H]- 136.04923 129.4
[M]+ 115.07401 114.5
[M]- 115.07511 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.