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

13
Patents

115.07456 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.081836 123.3
[M+Na]+ 138.063778 129.7
[M-H]- 114.067284 122.0
[M+NH4]+ 133.108383 141.8
[M+K]+ 154.037718 128.0
[M+H-H2O]+ 98.071820 116.7
[M+HCOO]- 160.072761 141.8
[M+CH3COO]- 174.088411 166.5
[M+Na-2H]- 136.049226 129.1
[M]+ 115.07401142 115.5
[M]- 115.07510858 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