CID 2825431

1-(2-methoxy-4-nitrophenyl)piperidine

Structural Information

Molecular Formula
C12H16N2O3
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCC2
InChI
InChI=1S/C12H16N2O3/c1-17-12-9-10(14(15)16)5-6-11(12)13-7-3-2-4-8-13/h5-6,9H,2-4,7-8H2,1H3
InChIKey
LLZSTLUJAGNBQV-UHFFFAOYSA-N
Compound name
1-(2-methoxy-4-nitrophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

236.11609 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 152.2
[M+Na]+ 259.105308 156.8
[M-H]- 235.108814 156.9
[M+NH4]+ 254.149913 167.4
[M+K]+ 275.079248 150.7
[M+H-H2O]+ 219.113350 148.6
[M+HCOO]- 281.114291 172.9
[M+CH3COO]- 295.129941 185.5
[M+Na-2H]- 257.090756 158.1
[M]+ 236.11554142 147.8
[M]- 236.11663858 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe