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

1
Patents

268.09787 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10515 159.8
[M+Na]+ 291.08709 166.0
[M-H]- 267.09059 162.7
[M+NH4]+ 286.13169 176.2
[M+K]+ 307.06103 161.1
[M+H-H2O]+ 251.09513 153.4
[M+HCOO]- 313.09607 172.9
[M+CH3COO]- 327.11172 194.2
[M+Na-2H]- 289.07254 162.4
[M]+ 268.09732 156.0
[M]- 268.09842 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