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 155.1
[M+Na]+ 256.13081 158.3
[M-H]- 232.13431 156.6
[M+NH4]+ 251.17541 169.5
[M+K]+ 272.10475 154.6
[M+H-H2O]+ 216.13885 147.6
[M+HCOO]- 278.13979 169.4
[M+CH3COO]- 292.15544 186.7
[M+Na-2H]- 254.11626 156.1
[M]+ 233.14104 148.0
[M]- 233.14214 148.0
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.