CID 3060647

78219-35-9

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC1CCN(CC1)CCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-13-7-9-16(10-8-13)11-12-18-15(17)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKey
HZRWUIOBGHDZHG-UHFFFAOYSA-N
Compound name
2-(4-methylpiperidin-1-yl)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 159.6
[M+Na]+ 270.14645 171.5
[M+NH4]+ 265.19105 167.6
[M+K]+ 286.12039 164.3
[M-H]- 246.14995 162.9
[M+Na-2H]- 268.13190 166.3
[M]+ 247.15668 162.1
[M]- 247.15778 162.1
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.