CID 3044628

4-piperidinecarboxylic acid, 4-amino-1-((4-chlorophenyl)methyl)-, sulfate (1:1)

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
C1CN(CCC1(C(=O)O)N)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H17ClN2O2/c14-11-3-1-10(2-4-11)9-16-7-5-13(15,6-8-16)12(17)18/h1-4H,5-9,15H2,(H,17,18)
InChIKey
ABDIXVFLGWCHDW-UHFFFAOYSA-N
Compound name
4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.09787 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.105146 159.8
[M+Na]+ 291.087088 166.0
[M-H]- 267.090594 162.7
[M+NH4]+ 286.131693 176.2
[M+K]+ 307.061028 161.1
[M+H-H2O]+ 251.095130 153.4
[M+HCOO]- 313.096071 172.9
[M+CH3COO]- 327.111721 194.2
[M+Na-2H]- 289.072536 162.4
[M]+ 268.09732142 156.0
[M]- 268.09841858 156.0
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