CID 213515

Methyl(4-piperidinophenyl)acetic acid

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC(C1=CC=C(C=C1)N2CCCCC2)C(=O)O
InChI
InChI=1S/C14H19NO2/c1-11(14(16)17)12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3,(H,16,17)
InChIKey
BMIWGVXKTLCCEV-UHFFFAOYSA-N
Compound name
2-(4-piperidin-1-ylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

233.14159 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.6
[M+Na]+ 256.13081 158.2
[M-H]- 232.13431 157.4
[M+NH4]+ 251.17541 169.7
[M+K]+ 272.10475 155.4
[M+H-H2O]+ 216.13885 146.7
[M+HCOO]- 278.13979 170.4
[M+CH3COO]- 292.15544 189.2
[M+Na-2H]- 254.11626 156.1
[M]+ 233.14104 149.3
[M]- 233.14214 149.3
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

patents stripe