CID 4417428

1-(4-nitrophenyl)-3-piperidinol

Structural Information

Molecular Formula
C11H14N2O3
SMILES
C1CC(CN(C1)C2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C11H14N2O3/c14-11-2-1-7-12(8-11)9-3-5-10(6-4-9)13(15)16/h3-6,11,14H,1-2,7-8H2
InChIKey
QZGBEKMQNFGXSX-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

222.10045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.107726 147.3
[M+Na]+ 245.089668 151.9
[M-H]- 221.093174 150.8
[M+NH4]+ 240.134273 162.3
[M+K]+ 261.063608 145.2
[M+H-H2O]+ 205.097710 144.2
[M+HCOO]- 267.098651 166.9
[M+CH3COO]- 281.114301 179.7
[M+Na-2H]- 243.075116 153.4
[M]+ 222.09990142 140.7
[M]- 222.10099858 140.7
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