CID 136165228

850879-26-4

Structural Information

Molecular Formula
C4H7N5O
SMILES
CNC1=NC(=O)NC(=N1)N
InChI
InChI=1S/C4H7N5O/c1-6-3-7-2(5)8-4(10)9-3/h1H3,(H4,5,6,7,8,9,10)
InChIKey
OAKVSYLSGAGQJL-UHFFFAOYSA-N
Compound name
6-amino-4-(methylamino)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

141.06506 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.072336 127.1
[M+Na]+ 164.054278 136.8
[M-H]- 140.057784 125.9
[M+NH4]+ 159.098883 143.5
[M+K]+ 180.028218 133.9
[M+H-H2O]+ 124.062320 119.5
[M+HCOO]- 186.063261 149.6
[M+CH3COO]- 200.078911 174.8
[M+Na-2H]- 162.039726 135.6
[M]+ 141.06451142 123.8
[M]- 141.06560858 123.8
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

patents stripe