CID 5005916

3-[(2-methoxyphenyl)methyl]piperidine hydrochloride

Structural Information

Molecular Formula
C13H19NO
SMILES
COC1=CC=CC=C1CC2CCCNC2
InChI
InChI=1S/C13H19NO/c1-15-13-7-3-2-6-12(13)9-11-5-4-8-14-10-11/h2-3,6-7,11,14H,4-5,8-10H2,1H3
InChIKey
QUMLOVQFWVLNPX-UHFFFAOYSA-N
Compound name
3-[(2-methoxyphenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
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 148.0
[M+Na]+ 228.13589 152.4
[M-H]- 204.13939 150.8
[M+NH4]+ 223.18049 164.6
[M+K]+ 244.10983 148.9
[M+H-H2O]+ 188.14393 140.2
[M+HCOO]- 250.14487 165.8
[M+CH3COO]- 264.16052 183.2
[M+Na-2H]- 226.12134 152.4
[M]+ 205.14612 142.8
[M]- 205.14722 142.9
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