CID 55288721

22354-70-7

Structural Information

Molecular Formula
C4H8N4O
SMILES
CN1C(=NN(C1=O)C)N
InChI
InChI=1S/C4H8N4O/c1-7-3(5)6-8(2)4(7)9/h1-2H3,(H2,5,6)
InChIKey
MLSCUJYRUOUFIX-UHFFFAOYSA-N
Compound name
5-amino-2,4-dimethyl-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.06981 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.07709 122.9
[M+Na]+ 151.05903 134.6
[M-H]- 127.06253 123.4
[M+NH4]+ 146.10363 143.1
[M+K]+ 167.03297 133.3
[M+H-H2O]+ 111.06707 116.0
[M+HCOO]- 173.06801 146.7
[M+CH3COO]- 187.08366 173.4
[M+Na-2H]- 149.04448 128.3
[M]+ 128.06926 123.3
[M]- 128.07036 123.3
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.