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

69
Patents

252.11101 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11829 154.8
[M+Na]+ 275.10023 159.8
[M-H]- 251.10373 158.6
[M+NH4]+ 270.14483 168.9
[M+K]+ 291.07417 153.4
[M+H-H2O]+ 235.10827 151.6
[M+HCOO]- 297.10921 174.2
[M+CH3COO]- 311.12486 186.0
[M+Na-2H]- 273.08568 159.9
[M]+ 252.11046 150.4
[M]- 252.11156 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