CID 137949073

2137783-49-2

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C(=O)O)CN2CCCCC2
InChI
InChI=1S/C19H29NO2/c1-15(14-20-11-5-4-6-12-20)13-16-7-9-17(10-8-16)19(2,3)18(21)22/h7-10,15H,4-6,11-14H2,1-3H3,(H,21,22)
InChIKey
HUBFIOLHRCECQI-UHFFFAOYSA-N
Compound name
2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
5
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 176.1
[M+Na]+ 326.20904 178.0
[M-H]- 302.21254 178.4
[M+NH4]+ 321.25364 188.5
[M+K]+ 342.18298 174.6
[M+H-H2O]+ 286.21708 168.1
[M+HCOO]- 348.21802 188.7
[M+CH3COO]- 362.23367 204.6
[M+Na-2H]- 324.19449 176.0
[M]+ 303.21927 172.2
[M]- 303.22037 172.2
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.