CID 3818672

3-(4-methoxybenzyl)piperidine

Structural Information

Molecular Formula
C13H19NO
SMILES
COC1=CC=C(C=C1)CC2CCCNC2
InChI
InChI=1S/C13H19NO/c1-15-13-6-4-11(5-7-13)9-12-3-2-8-14-10-12/h4-7,12,14H,2-3,8-10H2,1H3
InChIKey
MEMNAZVIXVXAJS-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

205.14667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 148.9
[M+Na]+ 228.13589 161.5
[M+NH4]+ 223.18049 157.9
[M+K]+ 244.10983 153.7
[M-H]- 204.13939 152.7
[M+Na-2H]- 226.12134 156.5
[M]+ 205.14612 151.7
[M]- 205.14722 151.7
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