CID 121277

Fc 403

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC1=C(C(=CC=C1)C)OC(=O)CN2CCCCC2
InChI
InChI=1S/C15H21NO2/c1-12-7-6-8-13(2)15(12)18-14(17)11-16-9-4-3-5-10-16/h6-8H,3-5,9-11H2,1-2H3
InChIKey
MIHYESHYTZHPJP-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl) 2-piperidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 158.7
[M+Na]+ 270.14645 163.6
[M-H]- 246.14995 163.1
[M+NH4]+ 265.19105 174.4
[M+K]+ 286.12039 161.0
[M+H-H2O]+ 230.15449 150.4
[M+HCOO]- 292.15543 176.7
[M+CH3COO]- 306.17108 194.4
[M+Na-2H]- 268.13190 160.6
[M]+ 247.15668 156.5
[M]- 247.15778 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.