CID 48932

2-piperidineethanol, benzoate (ester), hydrochloride

Structural Information

Molecular Formula
C14H19NO2
SMILES
C1CCNC(C1)CCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c16-14(12-6-2-1-3-7-12)17-11-9-13-8-4-5-10-15-13/h1-3,6-7,13,15H,4-5,8-11H2
InChIKey
CSPRDNCAADKCLW-UHFFFAOYSA-N
Compound name
2-piperidin-2-ylethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.14159 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 156.1
[M+Na]+ 256.13081 167.3
[M+NH4]+ 251.17541 163.9
[M+K]+ 272.10475 160.4
[M-H]- 232.13431 158.8
[M+Na-2H]- 254.11626 162.7
[M]+ 233.14104 158.3
[M]- 233.14214 158.3
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