CID 62950115

1-(2-aminoethyl)-1h-1,2,4-triazole-3-carbonitrile hydrochloride

Structural Information

Molecular Formula
C5H7N5
SMILES
C1=NC(=NN1CCN)C#N
InChI
InChI=1S/C5H7N5/c6-1-2-10-4-8-5(3-7)9-10/h4H,1-2,6H2
InChIKey
FXHMENSHCHMPQZ-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.07014 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07742 123.1
[M+Na]+ 160.05936 132.8
[M-H]- 136.06286 121.5
[M+NH4]+ 155.10396 139.6
[M+K]+ 176.03330 131.6
[M+H-H2O]+ 120.06740 107.9
[M+HCOO]- 182.06834 142.0
[M+CH3COO]- 196.08399 187.1
[M+Na-2H]- 158.04481 129.2
[M]+ 137.06959 117.0
[M]- 137.07069 117.0
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

No patent data available for this compound.