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]+ 129.07709 126.8
[M+Na]+ 151.05903 135.3
[M-H]- 127.06253 124.8
[M+NH4]+ 146.10363 143.8
[M+K]+ 167.03297 133.1
[M+H-H2O]+ 111.06707 119.6
[M+HCOO]- 173.06801 145.4
[M+CH3COO]- 187.08366 170.3
[M+Na-2H]- 149.04448 132.8
[M]+ 128.06926 121.4
[M]- 128.07036 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.