CID 16227817

4-(2,4,6-trimethoxyphenyl)piperidine hydrochloride

Structural Information

Molecular Formula
C14H21NO3
SMILES
COC1=CC(=C(C(=C1)OC)C2CCNCC2)OC
InChI
InChI=1S/C14H21NO3/c1-16-11-8-12(17-2)14(13(9-11)18-3)10-4-6-15-7-5-10/h8-10,15H,4-7H2,1-3H3
InChIKey
YKDGXDUAFBOSNK-UHFFFAOYSA-N
Compound name
4-(2,4,6-trimethoxyphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

251.15215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 158.9
[M+Na]+ 274.14137 171.0
[M+NH4]+ 269.18597 166.5
[M+K]+ 290.11531 164.6
[M-H]- 250.14487 161.7
[M+Na-2H]- 272.12682 164.8
[M]+ 251.15160 161.3
[M]- 251.15270 161.3
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