CID 118172952

1799890-65-5

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

CC(C)(C1=CC=CC(=N1)C(=O)O)O

InChI

InChI=1S/C9H11NO3/c1-9(2,13)7-5-3-4-6(10-7)8(11)12/h3-5,13H,1-2H3,(H,11,12)

InChIKey

ROPSAGXDMZTJNZ-UHFFFAOYSA-N

Compound name

6-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 181.0739 Da
Monoisotopic Mass: 0.5
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]+	182.08118	137.9
[M+Na]+	204.06312	148.9
[M+NH4]+	199.10772	144.3
[M+K]+	220.03706	145.5
[M-H]-	180.06662	136.9
[M+Na-2H]-	202.04857	142.9
[M]+	181.07335	139.0
[M]-	181.07445	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe