CID 83684829

Sodium 2-[1-(pyridin-2-yl)cyclobutyl]acetate

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CC(C1)(CC(=O)O)C2=CC=CC=N2
InChI
InChI=1S/C11H13NO2/c13-10(14)8-11(5-3-6-11)9-4-1-2-7-12-9/h1-2,4,7H,3,5-6,8H2,(H,13,14)
InChIKey
BXDHNGUYMHWOOU-UHFFFAOYSA-N
Compound name
2-(1-pyridin-2-ylcyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.5
[M+Na]+ 214.083858 146.9
[M-H]- 190.087364 145.2
[M+NH4]+ 209.128463 154.1
[M+K]+ 230.057798 147.7
[M+H-H2O]+ 174.091900 130.1
[M+HCOO]- 236.092841 160.5
[M+CH3COO]- 250.108491 182.5
[M+Na-2H]- 212.069306 147.5
[M]+ 191.09409142 148.4
[M]- 191.09518858 148.4
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.