CID 102800781

[1-(1h-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C8H15N5
SMILES
C1CN(CCC1CN)C2=NC=NN2
InChI
InChI=1S/C8H15N5/c9-5-7-1-3-13(4-2-7)8-10-6-11-12-8/h6-7H,1-5,9H2,(H,10,11,12)
InChIKey
WOSGOCOFSQOBLA-UHFFFAOYSA-N
Compound name
[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.13275 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.14003 141.4
[M+Na]+ 204.12197 147.2
[M-H]- 180.12547 140.3
[M+NH4]+ 199.16657 156.1
[M+K]+ 220.09591 143.7
[M+H-H2O]+ 164.13001 131.7
[M+HCOO]- 226.13095 157.8
[M+CH3COO]- 240.14660 151.6
[M+Na-2H]- 202.10742 145.1
[M]+ 181.13220 133.8
[M]- 181.13330 133.8
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.