CID 22145262

4-amino-1-phenylpiperidine-4-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1CN(CCC1(C(=O)O)N)C2=CC=CC=C2
InChI
InChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16)
InChIKey
FPGAOFXYANTSRQ-UHFFFAOYSA-N
Compound name
4-amino-1-phenylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

220.12119 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.1
[M+Na]+ 243.11041 155.1
[M-H]- 219.11391 153.1
[M+NH4]+ 238.15501 167.3
[M+K]+ 259.08435 152.2
[M+H-H2O]+ 203.11845 142.9
[M+HCOO]- 265.11939 168.1
[M+CH3COO]- 279.13504 186.2
[M+Na-2H]- 241.09586 154.4
[M]+ 220.12064 143.5
[M]- 220.12174 143.5
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