CID 115008852

Potassium 1-(3-chloropyridin-4-yl)cyclobutane-1-carboxylate

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
C1CC(C1)(C2=C(C=NC=C2)Cl)C(=O)O
InChI
InChI=1S/C10H10ClNO2/c11-8-6-12-5-2-7(8)10(9(13)14)3-1-4-10/h2,5-6H,1,3-4H2,(H,13,14)
InChIKey
PPUCDPSCLQZAHW-UHFFFAOYSA-N
Compound name
1-(3-chloropyridin-4-yl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

211.04001 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04729 138.6
[M+Na]+ 234.02923 146.3
[M-H]- 210.03273 142.7
[M+NH4]+ 229.07383 151.7
[M+K]+ 250.00317 145.3
[M+H-H2O]+ 194.03727 128.6
[M+HCOO]- 256.03821 153.7
[M+CH3COO]- 270.05386 184.4
[M+Na-2H]- 232.01468 144.5
[M]+ 211.03946 147.5
[M]- 211.04056 147.5
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