CID 74615

1852-17-1

Structural Information

Molecular Formula
C4H8N2O
SMILES
C1CNC(=O)NC1
InChI
InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
InChIKey
NQPJDJVGBDHCAD-UHFFFAOYSA-N
Compound name
1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

27
References

12503
Patents

100.06366 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 120.1
[M+Na]+ 123.05288 125.9
[M-H]- 99.056384 117.5
[M+NH4]+ 118.09748 138.8
[M+K]+ 139.02682 123.9
[M+H-H2O]+ 83.060920 113.8
[M+HCOO]- 145.06186 136.6
[M+CH3COO]- 159.07751 158.5
[M+Na-2H]- 121.03833 126.8
[M]+ 100.06311 111.8
[M]- 100.06421 111.8
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

No patent data available for this compound.