CID 198348

56436-29-4

Structural Information

Molecular Formula
C4H9N5
SMILES
C(CN)C1=NC(=NN1)N
InChI
InChI=1S/C4H9N5/c5-2-1-3-7-4(6)9-8-3/h1-2,5H2,(H3,6,7,8,9)
InChIKey
GNNXUWBCKBBJHF-UHFFFAOYSA-N
Compound name
5-(2-aminoethyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

127.08579 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.093066 124.3
[M+Na]+ 150.075008 132.6
[M-H]- 126.078514 122.2
[M+NH4]+ 145.119613 142.6
[M+K]+ 166.048948 130.2
[M+H-H2O]+ 110.083050 116.5
[M+HCOO]- 172.083991 146.6
[M+CH3COO]- 186.099641 171.7
[M+Na-2H]- 148.060456 130.3
[M]+ 127.08524142 119.6
[M]- 127.08633858 119.6
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