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-chloro-4-pyridinyl)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]+ 212.047286 138.6
[M+Na]+ 234.029228 146.3
[M-H]- 210.032734 142.7
[M+NH4]+ 229.073833 151.7
[M+K]+ 250.003168 145.3
[M+H-H2O]+ 194.037270 128.6
[M+HCOO]- 256.038211 153.7
[M+CH3COO]- 270.053861 184.4
[M+Na-2H]- 232.014676 144.5
[M]+ 211.03946142 147.5
[M]- 211.04055858 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