CID 18375105

(1-(4-nitrophenyl)piperidin-3-yl)methanol

Structural Information

Molecular Formula
C12H16N2O3
SMILES
C1CC(CN(C1)C2=CC=C(C=C2)[N+](=O)[O-])CO
InChI
InChI=1S/C12H16N2O3/c15-9-10-2-1-7-13(8-10)11-3-5-12(6-4-11)14(16)17/h3-6,10,15H,1-2,7-9H2
InChIKey
GHESWKCVPRIYLS-UHFFFAOYSA-N
Compound name
[1-(4-nitrophenyl)piperidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

236.11609 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 152.0
[M+Na]+ 259.105308 156.2
[M-H]- 235.108814 155.3
[M+NH4]+ 254.149913 166.4
[M+K]+ 275.079248 149.2
[M+H-H2O]+ 219.113350 148.7
[M+HCOO]- 281.114291 171.2
[M+CH3COO]- 295.129941 182.7
[M+Na-2H]- 257.090756 157.6
[M]+ 236.11554142 145.8
[M]- 236.11663858 145.8
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

No patent data available for this compound.