CID 1382018

5-(aminomethyl)-1h-1,2,4-triazol-3-amine dihydrochloride

Structural Information

Molecular Formula
C3H7N5
SMILES
C(C1=NC(=NN1)N)N
InChI
InChI=1S/C3H7N5/c4-1-2-6-3(5)8-7-2/h1,4H2,(H3,5,6,7,8)
InChIKey
YAJUVCFUFFPHBD-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

113.070145 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.07742 118.9
[M+Na]+ 136.05936 127.9
[M+NH4]+ 131.10397 125.5
[M+K]+ 152.03330 126.3
[M-H]- 112.06287 118.5
[M+Na-2H]- 134.04481 123.6
[M]+ 113.06960 119.5
[M]- 113.07069 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