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
5
Annotation Hits

27
References

9799
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 119.9
[M+Na]+ 123.05288 130.0
[M+NH4]+ 118.09748 127.4
[M+K]+ 139.02682 125.1
[M-H]- 99.056384 119.3
[M+Na-2H]- 121.03833 124.4
[M]+ 100.06311 120.7
[M]- 100.06421 120.7
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

patents stripe