CID 17039497

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

Structural Information

Molecular Formula
C14H21NO2
SMILES
COC1=C(C=C(C=C1)CC2CCNCC2)OC
InChI
InChI=1S/C14H21NO2/c1-16-13-4-3-12(10-14(13)17-2)9-11-5-7-15-8-6-11/h3-4,10-11,15H,5-9H2,1-2H3
InChIKey
CYUJXLCFTXECTM-UHFFFAOYSA-N
Compound name
4-[(3,4-dimethoxyphenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.15723 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 155.6
[M+Na]+ 258.14645 160.5
[M-H]- 234.14995 158.7
[M+NH4]+ 253.19105 171.2
[M+K]+ 274.12039 157.3
[M+H-H2O]+ 218.15449 147.6
[M+HCOO]- 280.15543 173.3
[M+CH3COO]- 294.17108 189.4
[M+Na-2H]- 256.13190 158.8
[M]+ 235.15668 152.7
[M]- 235.15778 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