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 159.5
[M+Na]+ 289.11587 164.0
[M-H]- 265.11937 163.1
[M+NH4]+ 284.16047 173.0
[M+K]+ 305.08981 157.4
[M+H-H2O]+ 249.12391 156.0
[M+HCOO]- 311.12485 178.6
[M+CH3COO]- 325.14050 189.1
[M+Na-2H]- 287.10132 164.1
[M]+ 266.12610 155.4
[M]- 266.12720 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