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

53
Patents

220.12119 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.128466 150.1
[M+Na]+ 243.110408 155.1
[M-H]- 219.113914 153.1
[M+NH4]+ 238.155013 167.3
[M+K]+ 259.084348 152.2
[M+H-H2O]+ 203.118450 142.9
[M+HCOO]- 265.119391 168.1
[M+CH3COO]- 279.135041 186.2
[M+Na-2H]- 241.095856 154.4
[M]+ 220.12064142 143.5
[M]- 220.12173858 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