CID 54595229

1-(3-ethoxy-4-nitrophenyl)piperidin-4-ol

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CCOC1=C(C=CC(=C1)N2CCC(CC2)O)[N+](=O)[O-]
InChI
InChI=1S/C13H18N2O4/c1-2-19-13-9-10(3-4-12(13)15(17)18)14-7-5-11(16)6-8-14/h3-4,9,11,16H,2,5-8H2,1H3
InChIKey
OPFTWSQGCRYECV-UHFFFAOYSA-N
Compound name
1-(3-ethoxy-4-nitrophenyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

266.12665 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 158.7
[M+Na]+ 289.11587 171.0
[M+NH4]+ 284.16047 165.8
[M+K]+ 305.08981 167.9
[M-H]- 265.11937 162.5
[M+Na-2H]- 287.10132 164.2
[M]+ 266.12610 161.2
[M]- 266.12720 161.2
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