CID 82389971

2460750-19-8

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC1=CC(=CC=C1)C(C2CCNCC2)C(=O)O
InChI
InChI=1S/C14H19NO2/c1-10-3-2-4-12(9-10)13(14(16)17)11-5-7-15-8-6-11/h2-4,9,11,13,15H,5-8H2,1H3,(H,16,17)
InChIKey
LULPKPULQZGVGZ-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-2-piperidin-4-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 155.6
[M+Na]+ 256.13081 166.3
[M+NH4]+ 251.17541 162.9
[M+K]+ 272.10475 160.8
[M-H]- 232.13431 157.7
[M+Na-2H]- 254.11626 161.0
[M]+ 233.14104 157.4
[M]- 233.14214 157.4
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.