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

37
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 119.9
[M+Na]+ 136.05936 128.7
[M-H]- 112.06287 118.0
[M+NH4]+ 131.10397 138.7
[M+K]+ 152.03330 126.5
[M+H-H2O]+ 96.067405 112.3
[M+HCOO]- 158.06835 142.6
[M+CH3COO]- 172.08400 168.7
[M+Na-2H]- 134.04481 126.4
[M]+ 113.06960 114.9
[M]- 113.07069 114.9
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