CID 3060649

78219-36-0

Structural Information

Molecular Formula
C15H21NO2
SMILES
CN1CCCCC1CCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-16-11-6-5-9-14(16)10-12-18-15(17)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3
InChIKey
IBQKMBDNFFPCFG-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-2-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]+ 248.164506 159.0
[M+Na]+ 270.146448 163.0
[M-H]- 246.149954 163.0
[M+NH4]+ 265.191053 174.4
[M+K]+ 286.120388 160.3
[M+H-H2O]+ 230.154490 150.5
[M+HCOO]- 292.155431 177.1
[M+CH3COO]- 306.171081 193.2
[M+Na-2H]- 268.131896 161.6
[M]+ 247.15668142 156.5
[M]- 247.15777858 156.5
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.