CID 234610

3-amino-5-methyl-4h-1,2,4-triazole

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

1445
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 116.8
[M+Na]+ 121.04847 126.4
[M-H]- 97.051974 115.2
[M+NH4]+ 116.09307 136.9
[M+K]+ 137.02241 124.7
[M+H-H2O]+ 81.056510 109.7
[M+HCOO]- 143.05745 139.0
[M+CH3COO]- 157.07310 164.2
[M+Na-2H]- 119.03392 123.8
[M]+ 98.058701 113.5
[M]- 98.059799 113.5
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