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

14
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 158.5
[M+Na]+ 274.14137 164.2
[M-H]- 250.14487 161.9
[M+NH4]+ 269.18597 173.7
[M+K]+ 290.11531 161.6
[M+H-H2O]+ 234.14941 150.5
[M+HCOO]- 296.15035 176.3
[M+CH3COO]- 310.16600 192.7
[M+Na-2H]- 272.12682 161.0
[M]+ 251.15160 157.4
[M]- 251.15270 157.4
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