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

1
Patents

152.1062 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 133.5
[M+Na]+ 175.09542 139.5
[M-H]- 151.09892 132.5
[M+NH4]+ 170.14002 149.5
[M+K]+ 191.06936 136.9
[M+H-H2O]+ 135.10346 123.8
[M+HCOO]- 197.10440 149.7
[M+CH3COO]- 211.12005 144.4
[M+Na-2H]- 173.08087 138.7
[M]+ 152.10565 126.7
[M]- 152.10675 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