CID 139597728

Dtxsid401029465

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC(C)(C)C1=CC=C(C=C1)CC(CN2CCCCC2)C(=O)O
InChI
InChI=1S/C19H29NO2/c1-19(2,3)17-9-7-15(8-10-17)13-16(18(21)22)14-20-11-5-4-6-12-20/h7-10,16H,4-6,11-14H2,1-3H3,(H,21,22)
InChIKey
WSLNKVRPZJRJRE-UHFFFAOYSA-N
Compound name
2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 176.3
[M+Na]+ 326.20904 186.1
[M+NH4]+ 321.25364 182.9
[M+K]+ 342.18298 180.5
[M-H]- 302.21254 178.1
[M+Na-2H]- 324.19449 181.1
[M]+ 303.21927 178.0
[M]- 303.22037 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.