CID 3060685

78219-58-6

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCN1CCC(CC1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-2-15-10-8-13(9-11-15)17-14(16)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKey
FWJNMPANLJMVJL-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-4-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.5
[M+Na]+ 256.13081 158.9
[M-H]- 232.13431 158.7
[M+NH4]+ 251.17541 170.4
[M+K]+ 272.10475 156.4
[M+H-H2O]+ 216.13885 146.1
[M+HCOO]- 278.13979 172.8
[M+CH3COO]- 292.15544 190.2
[M+Na-2H]- 254.11626 157.6
[M]+ 233.14104 151.5
[M]- 233.14214 151.5
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

No patent data available for this compound.