CID 218207

4-piperidinol, 1-methyl-, benzoate, hydrochloride

Structural Information

Molecular Formula
C13H17NO2
SMILES
CN1CCC(CC1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c1-14-9-7-12(8-10-14)16-13(15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKey
ITBIONVQXMUSAI-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

11
Patents

219.12593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.9
[M+Na]+ 242.11515 154.7
[M-H]- 218.11865 154.3
[M+NH4]+ 237.15975 166.4
[M+K]+ 258.08909 152.5
[M+H-H2O]+ 202.12319 141.8
[M+HCOO]- 264.12413 168.6
[M+CH3COO]- 278.13978 187.2
[M+Na-2H]- 240.10060 153.6
[M]+ 219.12538 146.6
[M]- 219.12648 146.6
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