CID 115468

7-nitro-1-(2-(3-piperidyl)ethyl)triazolo(4,5-c)pyridine

Structural Information

Molecular Formula
C12H16N6O2
SMILES
C1CC(CNC1)CCN2C3=C(C=NC=C3N=N2)[N+](=O)[O-]
InChI
InChI=1S/C12H16N6O2/c19-18(20)11-8-14-7-10-12(11)17(16-15-10)5-3-9-2-1-4-13-6-9/h7-9,13H,1-6H2
InChIKey
OEZJEQKTIXTQRW-UHFFFAOYSA-N
Compound name
7-nitro-1-(2-piperidin-3-ylethyl)triazolo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.13348 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14076 160.2
[M+Na]+ 299.12270 166.3
[M-H]- 275.12620 160.0
[M+NH4]+ 294.16730 170.3
[M+K]+ 315.09664 157.3
[M+H-H2O]+ 259.13074 153.8
[M+HCOO]- 321.13168 175.8
[M+CH3COO]- 335.14733 189.8
[M+Na-2H]- 297.10815 168.1
[M]+ 276.13293 155.1
[M]- 276.13403 155.1
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.