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

172
Patents

222.10045 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.107726 147.3
[M+Na]+ 245.089668 150.9
[M-H]- 221.093174 150.4
[M+NH4]+ 240.134273 161.9
[M+K]+ 261.063608 144.2
[M+H-H2O]+ 205.097710 143.9
[M+HCOO]- 267.098651 166.9
[M+CH3COO]- 281.114301 178.6
[M+Na-2H]- 243.075116 154.0
[M]+ 222.09990142 140.3
[M]- 222.10099858 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