CID 48932

Dtxsid90985933

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]+ 234.148866 155.1
[M+Na]+ 256.130808 158.1
[M-H]- 232.134314 157.4
[M+NH4]+ 251.175413 169.9
[M+K]+ 272.104748 154.7
[M+H-H2O]+ 216.138850 146.8
[M+HCOO]- 278.139791 171.9
[M+CH3COO]- 292.155441 186.5
[M+Na-2H]- 254.116256 158.4
[M]+ 233.14104142 149.9
[M]- 233.14213858 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