CID 283696

2-(piperidin-3-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CC(CNC1)CC(=O)O
InChI
InChI=1S/C7H13NO2/c9-7(10)4-6-2-1-3-8-5-6/h6,8H,1-5H2,(H,9,10)
InChIKey
WKXRHAACRPUBIC-UHFFFAOYSA-N
Compound name
2-piperidin-3-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

429
Patents

143.09464 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 131.8
[M+Na]+ 166.083858 136.1
[M-H]- 142.087364 130.3
[M+NH4]+ 161.128463 150.1
[M+K]+ 182.057798 134.3
[M+H-H2O]+ 126.091900 126.0
[M+HCOO]- 188.092841 148.0
[M+CH3COO]- 202.108491 167.8
[M+Na-2H]- 164.069306 135.8
[M]+ 143.09409142 124.9
[M]- 143.09518858 124.9
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