CID 12252710

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

Structural Information

Molecular Formula
C4H8N4
SMILES
CC1=NN=C(N1C)N
InChI
InChI=1S/C4H8N4/c1-3-6-7-4(5)8(3)2/h1-2H3,(H2,5,7)
InChIKey
VVJZQYADQJXKOC-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

112.0749 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.08218 120.6
[M+Na]+ 135.06412 131.2
[M-H]- 111.06762 120.7
[M+NH4]+ 130.10872 141.2
[M+K]+ 151.03806 130.1
[M+H-H2O]+ 95.072160 113.5
[M+HCOO]- 157.07310 144.0
[M+CH3COO]- 171.08875 171.0
[M+Na-2H]- 133.04957 126.9
[M]+ 112.07435 120.0
[M]- 112.07545 120.0
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