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-chloro-3-pyridinyl)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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.047286	137.4
[M+Na]+	234.029228	145.1
[M-H]-	210.032734	141.3
[M+NH4]+	229.073833	148.8
[M+K]+	250.003168	144.0
[M+H-H2O]+	194.037270	126.5
[M+HCOO]-	256.038211	152.4
[M+CH3COO]-	270.053861	186.0
[M+Na-2H]-	232.014676	141.6
[M]+	211.03946142	146.4
[M]-	211.04055858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.