CID 234610

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

Structural Information

Molecular Formula
C3H6N4
SMILES
CC1=NC(=NN1)N
InChI
InChI=1S/C3H6N4/c1-2-5-3(4)7-6-2/h1H3,(H3,4,5,6,7)
InChIKey
FJRZOOICEHBAED-UHFFFAOYSA-N
Compound name
5-methyl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1161
Patents

98.05925 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.066526 116.1
[M+Na]+ 121.04847 126.7
[M+NH4]+ 116.09307 123.3
[M+K]+ 137.02241 124.3
[M-H]- 97.051974 115.6
[M+Na-2H]- 119.03392 121.5
[M]+ 98.058701 117.1
[M]- 98.059799 117.1
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