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

7
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 122.4
[M+Na]+ 138.06378 131.9
[M+NH4]+ 133.10838 129.6
[M+K]+ 154.03772 127.6
[M-H]- 114.06728 122.4
[M+Na-2H]- 136.04923 126.5
[M]+ 115.07401 123.2
[M]- 115.07511 123.2
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