CID 575006

4254-55-1

Structural Information

Molecular Formula
C3H6N4O
SMILES
CN1C(=O)N(C=N1)N
InChI
InChI=1S/C3H6N4O/c1-6-3(8)7(4)2-5-6/h2H,4H2,1H3
InChIKey
ZEBYNMYXQZRGNV-UHFFFAOYSA-N
Compound name
4-amino-2-methyl-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

114.05416 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.06144 118.3
[M+Na]+ 137.04338 129.5
[M-H]- 113.04688 118.5
[M+NH4]+ 132.08798 138.6
[M+K]+ 153.01732 128.4
[M+H-H2O]+ 97.051420 111.2
[M+HCOO]- 159.05236 142.4
[M+CH3COO]- 173.06801 169.2
[M+Na-2H]- 135.02883 125.0
[M]+ 114.05361 118.0
[M]- 114.05471 118.0
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.