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 152.9
[M+Na]+ 258.11007 158.0
[M-H]- 234.11357 156.2
[M+NH4]+ 253.15467 168.2
[M+K]+ 274.08401 155.6
[M+H-H2O]+ 218.11811 145.1
[M+HCOO]- 280.11905 170.2
[M+CH3COO]- 294.13470 188.6
[M+Na-2H]- 256.09552 155.5
[M]+ 235.12030 149.7
[M]- 235.12140 149.7
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.