CID 10975500

Dtxsid901027838

Structural Information

Molecular Formula
C4H8N4O
SMILES
CC1=NNC(=O)N(C1)N
InChI
InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)
InChIKey
FIFXOUHQMGZUTO-UHFFFAOYSA-N
Compound name
4-amino-6-methyl-2,5-dihydro-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

87
Patents

128.06981 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.077086 126.8
[M+Na]+ 151.059028 135.3
[M-H]- 127.062534 124.8
[M+NH4]+ 146.103633 143.8
[M+K]+ 167.032968 133.1
[M+H-H2O]+ 111.067070 119.6
[M+HCOO]- 173.068011 145.4
[M+CH3COO]- 187.083661 170.3
[M+Na-2H]- 149.044476 132.8
[M]+ 128.06926142 121.4
[M]- 128.07035858 121.4
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