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]+ 129.07709 123.4
[M+Na]+ 151.05903 133.7
[M-H]- 127.06253 122.6
[M+NH4]+ 146.10363 142.8
[M+K]+ 167.03297 131.9
[M+H-H2O]+ 111.06707 116.3
[M+HCOO]- 173.06801 146.3
[M+CH3COO]- 187.08366 170.3
[M+Na-2H]- 149.04448 130.1
[M]+ 128.06926 122.6
[M]- 128.07036 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.