CID 3442

Fusaric acid

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CCCCC1=CN=C(C=C1)C(=O)O

InChI

InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)

InChIKey

DGMPVYSXXIOGJY-UHFFFAOYSA-N

Compound name

5-butylpyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 401
References: 2738
Patents: 179.09464 Da
Monoisotopic Mass: 2.6
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]+	180.10192	139.1
[M+Na]+	202.08386	151.3
[M+NH4]+	197.12846	146.5
[M+K]+	218.05780	145.4
[M-H]-	178.08736	139.7
[M+Na-2H]-	200.06931	145.0
[M]+	179.09409	140.8
[M]-	179.09519	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe