CID 3825723

1h-1,2,3-triazol-1-amine hydrochloride

Structural Information

Molecular Formula
C2H4N4
SMILES
C1=CN(N=N1)N
InChI
InChI=1S/C2H4N4/c3-6-2-1-4-5-6/h1-2H,3H2
InChIKey
MPSUGQWRVNRJEE-UHFFFAOYSA-N
Compound name
triazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

178
References

5229
Patents

84.043594 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.050870 111.1
[M+Na]+ 107.03281 120.6
[M-H]- 83.036318 110.6
[M+NH4]+ 102.07742 132.1
[M+K]+ 123.00675 120.1
[M+H-H2O]+ 67.040854 103.6
[M+HCOO]- 129.04180 135.1
[M+CH3COO]- 143.05744 162.7
[M+Na-2H]- 105.01826 119.9
[M]+ 84.043045 108.9
[M]- 84.044143 108.9
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