CID 82406115

Sodium 2-(1-methylpiperidin-3-yl)butanoate

Structural Information

Molecular Formula
C10H19NO2
SMILES
CCC(C1CCCN(C1)C)C(=O)O
InChI
InChI=1S/C10H19NO2/c1-3-9(10(12)13)8-5-4-6-11(2)7-8/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKey
ZNCHPCKQFRSGFU-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-3-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.14159 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 143.9
[M+Na]+ 208.13081 152.9
[M+NH4]+ 203.17541 150.9
[M+K]+ 224.10475 148.5
[M-H]- 184.13431 143.7
[M+Na-2H]- 206.11626 146.6
[M]+ 185.14104 144.7
[M]- 185.14214 144.7
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

No patent data available for this compound.