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

44
Patents

222.10045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 147.3
[M+Na]+ 245.08967 151.9
[M-H]- 221.09317 150.8
[M+NH4]+ 240.13427 162.3
[M+K]+ 261.06361 145.2
[M+H-H2O]+ 205.09771 144.2
[M+HCOO]- 267.09865 166.9
[M+CH3COO]- 281.11430 179.7
[M+Na-2H]- 243.07512 153.4
[M]+ 222.09990 140.7
[M]- 222.10100 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