CID 6410609

1-((5-chloro-1h-1,2,3-triazol-4-yl)iminomethyl)piperidine monohydrochloride

Structural Information

Molecular Formula
C8H12ClN5
SMILES
C1CCN(CC1)C=NC2=NNN=C2Cl
InChI
InChI=1S/C8H12ClN5/c9-7-8(12-13-11-7)10-6-14-4-2-1-3-5-14/h6H,1-5H2,(H,11,12,13)
InChIKey
ZOXVCJGRCCBBMJ-UHFFFAOYSA-N
Compound name
N-(5-chloro-2H-triazol-4-yl)-1-piperidin-1-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.07812 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08540 146.8
[M+Na]+ 236.06734 153.8
[M-H]- 212.07084 147.1
[M+NH4]+ 231.11194 161.8
[M+K]+ 252.04128 149.4
[M+H-H2O]+ 196.07538 136.6
[M+HCOO]- 258.07632 160.6
[M+CH3COO]- 272.09197 157.3
[M+Na-2H]- 234.05279 151.2
[M]+ 213.07757 142.8
[M]- 213.07867 142.8
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.