CID 384496

Nsc674329

Structural Information

Molecular Formula
C4H8N4O
SMILES
CC1=NNC(=O)N1NC
InChI
InChI=1S/C4H8N4O/c1-3-6-7-4(9)8(3)5-2/h5H,1-2H3,(H,7,9)
InChIKey
HHGZVVVYIXJBFR-UHFFFAOYSA-N
Compound name
3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

128.06981 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.077086 123.4
[M+Na]+ 151.059028 133.7
[M-H]- 127.062534 122.6
[M+NH4]+ 146.103633 142.8
[M+K]+ 167.032968 131.9
[M+H-H2O]+ 111.067070 116.3
[M+HCOO]- 173.068011 146.3
[M+CH3COO]- 187.083661 170.3
[M+Na-2H]- 149.044476 130.1
[M]+ 128.06926142 122.6
[M]- 128.07035858 122.6
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