CID 17039526

3-(3,4-dimethoxy-benzyl)-piperidine hydrochloride

Structural Information

Molecular Formula
C14H21NO2
SMILES
COC1=C(C=C(C=C1)CC2CCCNC2)OC
InChI
InChI=1S/C14H21NO2/c1-16-13-6-5-11(9-14(13)17-2)8-12-4-3-7-15-10-12/h5-6,9,12,15H,3-4,7-8,10H2,1-2H3
InChIKey
CMTAXWPDUQFGII-UHFFFAOYSA-N
Compound name
3-[(3,4-dimethoxyphenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

235.15723 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 155.6
[M+Na]+ 258.146448 160.5
[M-H]- 234.149954 158.7
[M+NH4]+ 253.191053 171.2
[M+K]+ 274.120388 157.3
[M+H-H2O]+ 218.154490 147.6
[M+HCOO]- 280.155431 173.3
[M+CH3COO]- 294.171081 189.4
[M+Na-2H]- 256.131896 158.8
[M]+ 235.15668142 152.7
[M]- 235.15777858 152.7
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