CID 61320158

3-(piperidin-3-yl)-1h-1,2,4-triazol-5-amine dihydrochloride

Structural Information

Molecular Formula
C7H13N5
SMILES
C1CC(CNC1)C2=NC(=NN2)N
InChI
InChI=1S/C7H13N5/c8-7-10-6(11-12-7)5-2-1-3-9-4-5/h5,9H,1-4H2,(H3,8,10,11,12)
InChIKey
SQCLUGZMWMTPEY-UHFFFAOYSA-N
Compound name
5-piperidin-3-yl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.1171 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.124376 137.6
[M+Na]+ 190.106318 143.5
[M-H]- 166.109824 135.4
[M+NH4]+ 185.150923 152.2
[M+K]+ 206.080258 139.4
[M+H-H2O]+ 150.114360 128.4
[M+HCOO]- 212.115301 152.9
[M+CH3COO]- 226.130951 147.6
[M+Na-2H]- 188.091766 141.4
[M]+ 167.11655142 127.9
[M]- 167.11764858 127.9
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

No patent data available for this compound.