CID 38363

4-piperidinophenylacetic acid

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CCN(CC1)C2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C13H17NO2/c15-13(16)10-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16)
InChIKey
WUUFNZNTHNHUAL-UHFFFAOYSA-N
Compound name
2-(4-piperidin-1-ylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

219.12593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.2
[M+Na]+ 242.11515 154.5
[M-H]- 218.11865 153.1
[M+NH4]+ 237.15975 165.9
[M+K]+ 258.08909 151.4
[M+H-H2O]+ 202.12319 142.3
[M+HCOO]- 264.12413 167.3
[M+CH3COO]- 278.13978 185.3
[M+Na-2H]- 240.10060 153.4
[M]+ 219.12538 145.1
[M]- 219.12648 145.1
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