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

121
Patents

219.12593 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 149.9
[M+Na]+ 242.115148 155.2
[M-H]- 218.118654 153.3
[M+NH4]+ 237.159753 166.0
[M+K]+ 258.089088 152.1
[M+H-H2O]+ 202.123190 142.4
[M+HCOO]- 264.124131 167.1
[M+CH3COO]- 278.139781 186.5
[M+Na-2H]- 240.100596 152.4
[M]+ 219.12538142 145.3
[M]- 219.12647858 145.3
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