CID 5743836

4-(2-piperidinoethoxy)benzoic acid hydrochloride

Structural Information

Molecular Formula
C14H19NO3
SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H19NO3/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11H2,(H,16,17)
InChIKey
XARCCBKWQPACEO-UHFFFAOYSA-N
Compound name
4-(2-piperidin-1-ylethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

287
Patents

249.13649 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 157.6
[M+Na]+ 272.12571 161.3
[M-H]- 248.12921 160.3
[M+NH4]+ 267.17031 172.0
[M+K]+ 288.09965 158.6
[M+H-H2O]+ 232.13375 149.3
[M+HCOO]- 294.13469 174.6
[M+CH3COO]- 308.15034 190.4
[M+Na-2H]- 270.11116 160.3
[M]+ 249.13594 154.3
[M]- 249.13704 154.3
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

patents stripe