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]+ 214.085396 146.8
[M+Na]+ 236.067338 153.8
[M-H]- 212.070844 147.1
[M+NH4]+ 231.111943 161.8
[M+K]+ 252.041278 149.4
[M+H-H2O]+ 196.075380 136.6
[M+HCOO]- 258.076321 160.6
[M+CH3COO]- 272.091971 157.3
[M+Na-2H]- 234.052786 151.2
[M]+ 213.07757142 142.8
[M]- 213.07866858 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.