CID 120597

Dtxsid60940236

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)CN2CCCCC2
InChI
InChI=1S/C19H29NO2/c1-14(2)16-9-8-10-17(15(3)4)19(16)22-18(21)13-20-11-6-5-7-12-20/h8-10,14-15H,5-7,11-13H2,1-4H3
InChIKey
YMXLRQDZQGGWSG-UHFFFAOYSA-N
Compound name
[2,6-di(propan-2-yl)phenyl] 2-piperidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.227096 176.2
[M+Na]+ 326.209038 178.8
[M-H]- 302.212544 180.0
[M+NH4]+ 321.253643 189.5
[M+K]+ 342.182978 176.3
[M+H-H2O]+ 286.217080 167.5
[M+HCOO]- 348.218021 190.8
[M+CH3COO]- 362.233671 208.1
[M+Na-2H]- 324.194486 173.7
[M]+ 303.21927142 174.3
[M]- 303.22036858 174.3
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.