CID 3023993

94201-56-6

Structural Information

Molecular Formula
C5H7N3O3
SMILES
C1C(C(=O)NC(=O)N1)NC=O
InChI
InChI=1S/C5H7N3O3/c9-2-7-3-1-6-5(11)8-4(3)10/h2-3H,1H2,(H,7,9)(H2,6,8,10,11)
InChIKey
MDYKHCIVCWSONE-UHFFFAOYSA-N
Compound name
N-(2,4-dioxo-1,3-diazinan-5-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.04874 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.056016 130.8
[M+Na]+ 180.037958 137.7
[M-H]- 156.041464 128.8
[M+NH4]+ 175.082563 147.2
[M+K]+ 196.011898 135.0
[M+H-H2O]+ 140.046000 124.2
[M+HCOO]- 202.046941 148.9
[M+CH3COO]- 216.062591 171.6
[M+Na-2H]- 178.023406 136.0
[M]+ 157.04819142 124.5
[M]- 157.04928858 124.5
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

No patent data available for this compound.