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
4
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 176.4
[M+Na]+ 326.20904 178.4
[M-H]- 302.21254 178.7
[M+NH4]+ 321.25364 188.8
[M+K]+ 342.18298 175.0
[M+H-H2O]+ 286.21708 168.4
[M+HCOO]- 348.21802 189.0
[M+CH3COO]- 362.23367 203.9
[M+Na-2H]- 324.19449 176.2
[M]+ 303.21927 172.4
[M]- 303.22037 172.4
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.