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

38
Patents

113.070145 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.077421 119.9
[M+Na]+ 136.059363 128.7
[M-H]- 112.062869 118.0
[M+NH4]+ 131.103968 138.7
[M+K]+ 152.033303 126.5
[M+H-H2O]+ 96.067405 112.3
[M+HCOO]- 158.068346 142.6
[M+CH3COO]- 172.083996 168.7
[M+Na-2H]- 134.044811 126.4
[M]+ 113.06959642 114.9
[M]- 113.07069358 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