CID 81049

1-(4-nitrophenyl)piperidine

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O2/c14-13(15)11-6-4-10(5-7-11)12-8-2-1-3-9-12/h4-7H,1-3,8-9H2
InChIKey
SGPLAXFUDTWHRS-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

218
Patents

206.10553 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 144.4
[M+Na]+ 229.09475 148.7
[M-H]- 205.09825 149.0
[M+NH4]+ 224.13935 160.6
[M+K]+ 245.06869 142.4
[M+H-H2O]+ 189.10279 141.0
[M+HCOO]- 251.10373 165.3
[M+CH3COO]- 265.11938 179.3
[M+Na-2H]- 227.08020 151.4
[M]+ 206.10498 137.9
[M]- 206.10608 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe