CID 808767

3-amino-4-(piperidin-1-yl)benzoic acid

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)N
InChI
InChI=1S/C12H16N2O2/c13-10-8-9(12(15)16)4-5-11(10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2,(H,15,16)
InChIKey
DFGNBCGBUAHIPC-UHFFFAOYSA-N
Compound name
3-amino-4-piperidin-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

220.12119 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.128466 149.8
[M+Na]+ 243.110408 154.7
[M-H]- 219.113914 152.8
[M+NH4]+ 238.155013 165.2
[M+K]+ 259.084348 151.5
[M+H-H2O]+ 203.118450 142.1
[M+HCOO]- 265.119391 167.8
[M+CH3COO]- 279.135041 187.9
[M+Na-2H]- 241.095856 152.3
[M]+ 220.12064142 143.2
[M]- 220.12173858 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe