CID 290276

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

Structural Information

Molecular Formula
C3H6N4
SMILES
CN1C=NN=C1N
InChI
InChI=1S/C3H6N4/c1-7-2-5-6-3(7)4/h2H,1H3,(H2,4,6)
InChIKey
UQUDZKOREXYFDJ-UHFFFAOYSA-N
Compound name
4-methyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

98.05925 Da
Monoisotopic Mass

-0.9
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

literature stripe

Patent stripe

patents stripe