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]+ 182.140026 141.4
[M+Na]+ 204.121968 147.2
[M-H]- 180.125474 140.3
[M+NH4]+ 199.166573 156.1
[M+K]+ 220.095908 143.7
[M+H-H2O]+ 164.130010 131.7
[M+HCOO]- 226.130951 157.8
[M+CH3COO]- 240.146601 151.6
[M+Na-2H]- 202.107416 145.1
[M]+ 181.13220142 133.8
[M]- 181.13329858 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.