CID 21992596

337904-77-5

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC(C)C1=NC(=CC=C1)C(=O)O

InChI

InChI=1S/C9H11NO2/c1-6(2)7-4-3-5-8(10-7)9(11)12/h3-6H,1-2H3,(H,11,12)

InChIKey

KDGOODJXLHNGMS-UHFFFAOYSA-N

Compound name

6-propan-2-ylpyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 180
Patents: 165.07898 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]+	166.08626	134.6
[M+Na]+	188.06820	146.6
[M+NH4]+	183.11280	142.0
[M+K]+	204.04214	141.9
[M-H]-	164.07170	135.0
[M+Na-2H]-	186.05365	140.4
[M]+	165.07843	136.2
[M]-	165.07953	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe