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

339
Patents

249.13649 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.143766 157.6
[M+Na]+ 272.125708 161.3
[M-H]- 248.129214 160.3
[M+NH4]+ 267.170313 172.0
[M+K]+ 288.099648 158.6
[M+H-H2O]+ 232.133750 149.3
[M+HCOO]- 294.134691 174.6
[M+CH3COO]- 308.150341 190.4
[M+Na-2H]- 270.111156 160.3
[M]+ 249.13594142 154.3
[M]- 249.13703858 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