CID 297406

89227-65-6

Structural Information

Molecular Formula
C7H9N3O3
SMILES
CN(C)C=C1C(=O)NC(=O)NC1=O
InChI
InChI=1S/C7H9N3O3/c1-10(2)3-4-5(11)8-7(13)9-6(4)12/h3H,1-2H3,(H2,8,9,11,12,13)
InChIKey
IFJJJQASQZGSAC-UHFFFAOYSA-N
Compound name
5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06439 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07167 137.8
[M+Na]+ 206.05361 145.4
[M-H]- 182.05711 137.5
[M+NH4]+ 201.09821 154.1
[M+K]+ 222.02755 143.0
[M+H-H2O]+ 166.06165 131.2
[M+HCOO]- 228.06259 155.9
[M+CH3COO]- 242.07824 180.8
[M+Na-2H]- 204.03906 140.6
[M]+ 183.06384 133.0
[M]- 183.06494 133.0
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.