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

63
Patents

112.0749 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.08218 120.6
[M+Na]+ 135.06412 129.0
[M-H]- 111.06762 120.5
[M+NH4]+ 130.10872 140.7
[M+K]+ 151.03806 128.8
[M+H-H2O]+ 95.072160 112.8
[M+HCOO]- 157.07310 143.6
[M+CH3COO]- 171.08875 170.3
[M+Na-2H]- 133.04957 128.2
[M]+ 112.07435 119.5
[M]- 112.07545 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