CID 1712205

3,4-diamino-6-methyl-4,5-dihydro-1,2,4-triazin-5-one

Structural Information

Molecular Formula
C4H7N5O
SMILES
CC1=NN=C(N(C1=O)N)N
InChI
InChI=1S/C4H7N5O/c1-2-3(10)9(6)4(5)8-7-2/h6H2,1H3,(H2,5,8)
InChIKey
YIUAPQXIGBLZGS-UHFFFAOYSA-N
Compound name
3,4-diamino-6-methyl-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

141.06506 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.072336 127.4
[M+Na]+ 164.054278 138.5
[M-H]- 140.057784 127.5
[M+NH4]+ 159.098883 144.6
[M+K]+ 180.028218 136.2
[M+H-H2O]+ 124.062320 120.0
[M+HCOO]- 186.063261 150.8
[M+CH3COO]- 200.078911 177.8
[M+Na-2H]- 162.039726 134.6
[M]+ 141.06451142 125.4
[M]- 141.06560858 125.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe