CID 121281

Fc 451

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC1=C(C(=CC=C1)C)OC(=O)C(C)N2CCCCC2
InChI
InChI=1S/C16H23NO2/c1-12-8-7-9-13(2)15(12)19-16(18)14(3)17-10-5-4-6-11-17/h7-9,14H,4-6,10-11H2,1-3H3
InChIKey
OWPSQWUECFYQMO-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl) 2-piperidin-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 162.9
[M+Na]+ 284.162098 167.2
[M-H]- 260.165604 167.3
[M+NH4]+ 279.206703 178.0
[M+K]+ 300.136038 164.8
[M+H-H2O]+ 244.170140 154.7
[M+HCOO]- 306.171081 179.6
[M+CH3COO]- 320.186731 198.3
[M+Na-2H]- 282.147546 163.2
[M]+ 261.17233142 160.6
[M]- 261.17342858 160.6
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.