CID 82513256

2-methoxy-4-(piperidin-1-yl)benzoic acid

Structural Information

Molecular Formula
C13H17NO3
SMILES
COC1=C(C=CC(=C1)N2CCCCC2)C(=O)O
InChI
InChI=1S/C13H17NO3/c1-17-12-9-10(5-6-11(12)13(15)16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)
InChIKey
BPOQCWVUKOZMHL-UHFFFAOYSA-N
Compound name
2-methoxy-4-piperidin-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 153.6
[M+Na]+ 258.11007 165.2
[M+NH4]+ 253.15467 161.0
[M+K]+ 274.08401 159.6
[M-H]- 234.11357 156.0
[M+Na-2H]- 256.09552 159.5
[M]+ 235.12030 155.7
[M]- 235.12140 155.7
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

No patent data available for this compound.