CID 213514

2-(3-chloro-4-piperidinophenyl)propionic acid

Structural Information

Molecular Formula
C14H18ClNO2
SMILES
CC(C1=CC(=C(C=C1)N2CCCCC2)Cl)C(=O)O
InChI
InChI=1S/C14H18ClNO2/c1-10(14(17)18)11-5-6-13(12(15)9-11)16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18)
InChIKey
ROEXAHPGEQNLCG-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

267.1026 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10988 159.7
[M+Na]+ 290.09182 165.0
[M-H]- 266.09532 162.7
[M+NH4]+ 285.13642 174.6
[M+K]+ 306.06576 160.4
[M+H-H2O]+ 250.09986 152.7
[M+HCOO]- 312.10080 171.0
[M+CH3COO]- 326.11645 194.1
[M+Na-2H]- 288.07727 160.1
[M]+ 267.10205 157.0
[M]- 267.10315 157.0
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