CID 3051317

67383-66-8

Structural Information

Molecular Formula
C5H7N3O4
SMILES
CC1(CNC(=O)NC1=O)[N+](=O)[O-]
InChI
InChI=1S/C5H7N3O4/c1-5(8(11)12)2-6-4(10)7-3(5)9/h2H2,1H3,(H2,6,7,9,10)
InChIKey
UIILDRUNHHIJAQ-UHFFFAOYSA-N
Compound name
5-methyl-5-nitro-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.04366 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05094 130.8
[M+Na]+ 196.03288 138.1
[M-H]- 172.03638 129.4
[M+NH4]+ 191.07748 148.2
[M+K]+ 212.00682 132.1
[M+H-H2O]+ 156.04092 130.3
[M+HCOO]- 218.04186 148.9
[M+CH3COO]- 232.05751 165.5
[M+Na-2H]- 194.01833 138.9
[M]+ 173.04311 123.7
[M]- 173.04421 123.7
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.