CID 9578723

Brn 0192367

Structural Information

Molecular Formula
C6H9N5O3
SMILES
CN1/C(=N/N)/C(C(=O)N(C1=O)C)N=O
InChI
InChI=1S/C6H9N5O3/c1-10-4(8-7)3(9-14)5(12)11(2)6(10)13/h3H,7H2,1-2H3/b8-4+
InChIKey
ANCSPDIQUIBIKA-XBXARRHUSA-N
Compound name
(6E)-6-hydrazinylidene-1,3-dimethyl-5-nitroso-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.07054 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07782 139.4
[M+Na]+ 222.05976 149.0
[M-H]- 198.06326 143.5
[M+NH4]+ 217.10436 156.9
[M+K]+ 238.03370 148.6
[M+H-H2O]+ 182.06780 131.9
[M+HCOO]- 244.06874 164.7
[M+CH3COO]- 258.08439 196.7
[M+Na-2H]- 220.04521 143.8
[M]+ 199.06999 138.8
[M]- 199.07109 138.8
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.