CID 55265399

Sodium 1-(pyridin-4-yl)cyclobutane-1-carboxylate

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CC(C1)(C2=CC=NC=C2)C(=O)O
InChI
InChI=1S/C10H11NO2/c12-9(13)10(4-1-5-10)8-2-6-11-7-3-8/h2-3,6-7H,1,4-5H2,(H,12,13)
InChIKey
JOLHBBPHSNWWQF-UHFFFAOYSA-N
Compound name
1-pyridin-4-ylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 136.9
[M+Na]+ 200.06820 142.7
[M-H]- 176.07170 140.8
[M+NH4]+ 195.11280 150.0
[M+K]+ 216.04214 143.7
[M+H-H2O]+ 160.07624 125.7
[M+HCOO]- 222.07718 156.3
[M+CH3COO]- 236.09283 179.6
[M+Na-2H]- 198.05365 143.5
[M]+ 177.07843 143.4
[M]- 177.07953 143.4
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.