CID 120597

1877-27-6

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]+ 304.22710 176.2
[M+Na]+ 326.20904 178.8
[M-H]- 302.21254 180.0
[M+NH4]+ 321.25364 189.5
[M+K]+ 342.18298 176.3
[M+H-H2O]+ 286.21708 167.5
[M+HCOO]- 348.21802 190.8
[M+CH3COO]- 362.23367 208.1
[M+Na-2H]- 324.19449 173.7
[M]+ 303.21927 174.3
[M]- 303.22037 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.