CID 12576851

N,n-dimethyl-4h-1,2,4-triazol-3-amine hydroiodide

Structural Information

Molecular Formula
C4H8N4
SMILES
CN(C)C1=NC=NN1
InChI
InChI=1S/C4H8N4/c1-8(2)4-5-3-6-7-4/h3H,1-2H3,(H,5,6,7)
InChIKey
JFNQRZQLFJSYLO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1H-1,2,4-triazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

112.0749 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.082176 120.6
[M+Na]+ 135.064118 129.0
[M-H]- 111.067624 120.5
[M+NH4]+ 130.108723 140.7
[M+K]+ 151.038058 128.8
[M+H-H2O]+ 95.072160 112.8
[M+HCOO]- 157.073101 143.6
[M+CH3COO]- 171.088751 170.3
[M+Na-2H]- 133.049566 128.2
[M]+ 112.07435142 119.5
[M]- 112.07544858 119.5
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