CID 165982146

2-[3-(2h-1,2,3,4-tetrazol-5-yl)-1h-1,2,4-triazol-1-yl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H8N8
SMILES
C1=NC(=NN1CCN)C2=NNN=N2
InChI
InChI=1S/C5H8N8/c6-1-2-13-3-7-4(10-13)5-8-11-12-9-5/h3H,1-2,6H2,(H,8,9,11,12)
InChIKey
UCAJEXAPBWDLMU-UHFFFAOYSA-N
Compound name
2-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08719 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09447 135.3
[M+Na]+ 203.07641 146.3
[M-H]- 179.07991 132.8
[M+NH4]+ 198.12101 148.0
[M+K]+ 219.05035 142.7
[M+H-H2O]+ 163.08445 124.6
[M+HCOO]- 225.08539 155.0
[M+CH3COO]- 239.10104 146.9
[M+Na-2H]- 201.06186 141.4
[M]+ 180.08664 134.7
[M]- 180.08774 134.7
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.