CID 566503

1-methyl-1h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C3H6N4
SMILES
CN1C=NC(=N1)N
InChI
InChI=1S/C3H6N4/c1-7-2-5-3(4)6-7/h2H,1H3,(H2,4,6)
InChIKey
CNSCXLZIKKHZND-UHFFFAOYSA-N
Compound name
1-methyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

98.05925 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.066526 115.9
[M+Na]+ 121.04847 126.0
[M-H]- 97.051974 115.7
[M+NH4]+ 116.09307 136.7
[M+K]+ 137.02241 125.1
[M+H-H2O]+ 81.056510 108.6
[M+HCOO]- 143.05745 139.6
[M+CH3COO]- 157.07310 166.8
[M+Na-2H]- 119.03392 123.4
[M]+ 98.058701 114.5
[M]- 98.059799 114.5
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

patents stripe