CID 3048063

63884-44-6

Structural Information

Molecular Formula
C6H12N4O3
SMILES
CN1C(C(C(=O)N(C1=O)C)NO)N
InChI
InChI=1S/C6H12N4O3/c1-9-4(7)3(8-13)5(11)10(2)6(9)12/h3-4,8,13H,7H2,1-2H3
InChIKey
MRTGXVGVUMCCDV-UHFFFAOYSA-N
Compound name
6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09094 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09822 140.6
[M+Na]+ 211.08016 149.1
[M-H]- 187.08366 140.5
[M+NH4]+ 206.12476 156.8
[M+K]+ 227.05410 147.3
[M+H-H2O]+ 171.08820 134.0
[M+HCOO]- 233.08914 159.9
[M+CH3COO]- 247.10479 186.6
[M+Na-2H]- 209.06561 142.8
[M]+ 188.09039 136.6
[M]- 188.09149 136.6
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.