CID 12937924

Methyl 3-(piperidin-3-yl)benzoate hydrochloride

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC(=O)C1=CC=CC(=C1)C2CCCNC2
InChI
InChI=1S/C13H17NO2/c1-16-13(15)11-5-2-4-10(8-11)12-6-3-7-14-9-12/h2,4-5,8,12,14H,3,6-7,9H2,1H3
InChIKey
OCJMUKWEGRGIEC-UHFFFAOYSA-N
Compound name
methyl 3-piperidin-3-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

219.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.2
[M+Na]+ 242.11515 163.0
[M+NH4]+ 237.15975 159.1
[M+K]+ 258.08909 156.5
[M-H]- 218.11865 154.0
[M+Na-2H]- 240.10060 157.8
[M]+ 219.12538 153.5
[M]- 219.12648 153.5
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