CID 18002455

4-(1-methylpiperidin-4-yl)benzoic acid

Structural Information

Molecular Formula
C13H17NO2
SMILES
CN1CCC(CC1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C13H17NO2/c1-14-8-6-11(7-9-14)10-2-4-12(5-3-10)13(15)16/h2-5,11H,6-9H2,1H3,(H,15,16)
InChIKey
NOFWSNMLTCIWPD-UHFFFAOYSA-N
Compound name
4-(1-methylpiperidin-4-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

219.12593 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.6
[M+Na]+ 242.11515 162.8
[M+NH4]+ 237.15975 158.6
[M+K]+ 258.08909 156.5
[M-H]- 218.11865 153.5
[M+Na-2H]- 240.10060 157.0
[M]+ 219.12538 153.0
[M]- 219.12648 153.0
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