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]+ 304.227096 176.4
[M+Na]+ 326.209038 178.4
[M-H]- 302.212544 178.7
[M+NH4]+ 321.253643 188.8
[M+K]+ 342.182978 175.0
[M+H-H2O]+ 286.217080 168.4
[M+HCOO]- 348.218021 189.0
[M+CH3COO]- 362.233671 203.9
[M+Na-2H]- 324.194486 176.2
[M]+ 303.21927142 172.4
[M]- 303.22036858 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.