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

9
Patents

266.12665 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 159.5
[M+Na]+ 289.115868 164.0
[M-H]- 265.119374 163.1
[M+NH4]+ 284.160473 173.0
[M+K]+ 305.089808 157.4
[M+H-H2O]+ 249.123910 156.0
[M+HCOO]- 311.124851 178.6
[M+CH3COO]- 325.140501 189.1
[M+Na-2H]- 287.101316 164.1
[M]+ 266.12610142 155.4
[M]- 266.12719858 155.4
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