CID 21918653

4-(4-nitrophenoxy)piperidine

Structural Information

Molecular Formula
C11H14N2O3
SMILES
C1CNCCC1OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O3/c14-13(15)9-1-3-10(4-2-9)16-11-5-7-12-8-6-11/h1-4,11-12H,5-8H2
InChIKey
JAHDECSRUJTQCB-UHFFFAOYSA-N
Compound name
4-(4-nitrophenoxy)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

222.10045 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 147.3
[M+Na]+ 245.08967 150.9
[M-H]- 221.09317 150.4
[M+NH4]+ 240.13427 161.9
[M+K]+ 261.06361 144.2
[M+H-H2O]+ 205.09771 143.9
[M+HCOO]- 267.09865 166.9
[M+CH3COO]- 281.11430 178.6
[M+Na-2H]- 243.07512 154.0
[M]+ 222.09990 140.3
[M]- 222.10100 140.3
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