CID 121287

2014-33-7

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC1=CC(=C(C(=C1)C)OC(=O)CN2CCCCC2)C
InChI
InChI=1S/C16H23NO2/c1-12-9-13(2)16(14(3)10-12)19-15(18)11-17-7-5-4-6-8-17/h9-10H,4-8,11H2,1-3H3
InChIKey
OJQMLJVQLVLQIV-UHFFFAOYSA-N
Compound name
(2,4,6-trimethylphenyl) 2-piperidin-1-ylacetate
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]+ 262.18016 162.8
[M+Na]+ 284.16210 168.2
[M-H]- 260.16560 167.4
[M+NH4]+ 279.20670 178.3
[M+K]+ 300.13604 165.4
[M+H-H2O]+ 244.17014 154.6
[M+HCOO]- 306.17108 180.5
[M+CH3COO]- 320.18673 198.6
[M+Na-2H]- 282.14755 163.5
[M]+ 261.17233 161.4
[M]- 261.17343 161.4
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.