CID 225457

1-(2-nitrophenyl)piperidine

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O2/c14-13(15)11-7-3-2-6-10(11)12-8-4-1-5-9-12/h2-3,6-7H,1,4-5,8-9H2
InChIKey
WDAUAKBDZSYXEM-UHFFFAOYSA-N
Compound name
1-(2-nitrophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

98
Patents

206.10553 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 143.8
[M+Na]+ 229.09475 157.3
[M+NH4]+ 224.13935 152.8
[M+K]+ 245.06869 152.8
[M-H]- 205.09825 149.1
[M+Na-2H]- 227.08020 151.8
[M]+ 206.10498 147.1
[M]- 206.10608 147.1
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