CID 76848717

1228112-80-8

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1CC(C1)C2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C10H11NO2/c12-10(13)8-4-5-9(11-6-8)7-2-1-3-7/h4-7H,1-3H2,(H,12,13)

InChIKey

SSLLIMVFGWNYMQ-UHFFFAOYSA-N

Compound name

6-cyclobutylpyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 177.07898 Da
Monoisotopic Mass: 1.5
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]+	178.086256	134.7
[M+Na]+	200.068198	140.5
[M-H]-	176.071704	138.5
[M+NH4]+	195.112803	146.1
[M+K]+	216.042138	141.4
[M+H-H2O]+	160.076240	122.7
[M+HCOO]-	222.077181	154.0
[M+CH3COO]-	236.092831	181.1
[M+Na-2H]-	198.053646	139.7
[M]+	177.07843142	141.3
[M]-	177.07952858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe