CID 84020863

3-(2h-1,2,3-triazol-2-yl)piperidine hydrochloride

Structural Information

Molecular Formula
C7H12N4
SMILES
C1CC(CNC1)N2N=CC=N2
InChI
InChI=1S/C7H12N4/c1-2-7(6-8-3-1)11-9-4-5-10-11/h4-5,7-8H,1-3,6H2
InChIKey
KGLMRCGIKAKFCH-UHFFFAOYSA-N
Compound name
3-(triazol-2-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.1062 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.113476 133.5
[M+Na]+ 175.095418 139.5
[M-H]- 151.098924 132.5
[M+NH4]+ 170.140023 149.5
[M+K]+ 191.069358 136.9
[M+H-H2O]+ 135.103460 123.8
[M+HCOO]- 197.104401 149.7
[M+CH3COO]- 211.120051 144.4
[M+Na-2H]- 173.080866 138.7
[M]+ 152.10565142 126.7
[M]- 152.10674858 126.7
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

patents stripe