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

0
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 155.1
[M+Na]+ 256.13081 158.1
[M-H]- 232.13431 157.4
[M+NH4]+ 251.17541 169.9
[M+K]+ 272.10475 154.7
[M+H-H2O]+ 216.13885 146.8
[M+HCOO]- 278.13979 171.9
[M+CH3COO]- 292.15544 186.5
[M+Na-2H]- 254.11626 158.4
[M]+ 233.14104 149.9
[M]- 233.14214 149.9
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