CID 19847999

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

Structural Information

Molecular Formula
C4H9N3O
SMILES
C1CNC(=O)N(C1)N
InChI
InChI=1S/C4H9N3O/c5-7-3-1-2-6-4(7)8/h1-3,5H2,(H,6,8)
InChIKey
HTSXUSHBMJIFEI-UHFFFAOYSA-N
Compound name
1-amino-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

115.07456 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.08184 123.3
[M+Na]+ 138.06378 129.7
[M-H]- 114.06728 122.0
[M+NH4]+ 133.10838 141.8
[M+K]+ 154.03772 128.0
[M+H-H2O]+ 98.071820 116.7
[M+HCOO]- 160.07276 141.8
[M+CH3COO]- 174.08841 166.5
[M+Na-2H]- 136.04923 129.1
[M]+ 115.07401 115.5
[M]- 115.07511 115.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe