CID 62232198

4-(3-aminopiperidin-1-yl)benzoic acid dihydrochloride

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1CC(CN(C1)C2=CC=C(C=C2)C(=O)O)N
InChI
InChI=1S/C12H16N2O2/c13-10-2-1-7-14(8-10)11-5-3-9(4-6-11)12(15)16/h3-6,10H,1-2,7-8,13H2,(H,15,16)
InChIKey
SSOUTMUMAUDYCZ-UHFFFAOYSA-N
Compound name
4-(3-aminopiperidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.8
[M+Na]+ 243.11041 154.7
[M-H]- 219.11391 152.8
[M+NH4]+ 238.15501 165.2
[M+K]+ 259.08435 151.5
[M+H-H2O]+ 203.11845 142.1
[M+HCOO]- 265.11939 167.8
[M+CH3COO]- 279.13504 187.9
[M+Na-2H]- 241.09586 152.3
[M]+ 220.12064 143.2
[M]- 220.12174 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.