CID 25918860

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

Structural Information

Molecular Formula
C12H16N2O4
SMILES
COC1=C(C=CC(=C1)N2CCC(CC2)O)[N+](=O)[O-]
InChI
InChI=1S/C12H16N2O4/c1-18-12-8-9(2-3-11(12)14(16)17)13-6-4-10(15)5-7-13/h2-3,8,10,15H,4-7H2,1H3
InChIKey
SNYOQELAUCYAKA-UHFFFAOYSA-N
Compound name
1-(3-methoxy-4-nitrophenyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

252.11101 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.118286 154.8
[M+Na]+ 275.100228 159.8
[M-H]- 251.103734 158.6
[M+NH4]+ 270.144833 168.9
[M+K]+ 291.074168 153.4
[M+H-H2O]+ 235.108270 151.6
[M+HCOO]- 297.109211 174.2
[M+CH3COO]- 311.124861 186.0
[M+Na-2H]- 273.085676 159.9
[M]+ 252.11046142 150.4
[M]- 252.11155858 150.4
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