CID 165995902

2354790-03-5

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
C1C(CC1C(=O)O)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C10H10ClNO2/c11-9-2-1-6(5-12-9)7-3-8(4-7)10(13)14/h1-2,5,7-8H,3-4H2,(H,13,14)
InChIKey
VGXMNFQKMDYZDN-UHFFFAOYSA-N
Compound name
3-(6-chloropyridin-3-yl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04001 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04729 137.4
[M+Na]+ 234.02923 145.1
[M-H]- 210.03273 141.3
[M+NH4]+ 229.07383 148.8
[M+K]+ 250.00317 144.0
[M+H-H2O]+ 194.03727 126.5
[M+HCOO]- 256.03821 152.4
[M+CH3COO]- 270.05386 186.0
[M+Na-2H]- 232.01468 141.6
[M]+ 211.03946 146.4
[M]- 211.04056 146.4
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.