CID 61320156

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

Structural Information

Molecular Formula
C7H13N5
SMILES
C1CNCCC1C2=NC(=NN2)N
InChI
InChI=1S/C7H13N5/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h5,9H,1-4H2,(H3,8,10,11,12)
InChIKey
CZJWKONMXKVEBV-UHFFFAOYSA-N
Compound name
5-piperidin-4-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]+ 168.12438 137.6
[M+Na]+ 190.10632 143.5
[M-H]- 166.10982 135.4
[M+NH4]+ 185.15092 152.2
[M+K]+ 206.08026 139.4
[M+H-H2O]+ 150.11436 128.4
[M+HCOO]- 212.11530 152.9
[M+CH3COO]- 226.13095 147.6
[M+Na-2H]- 188.09177 141.4
[M]+ 167.11655 127.9
[M]- 167.11765 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.