CID 44600733

1203544-02-8

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

CC(C)N1C=CC(=CC1=O)C(=O)O

InChI

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

InChIKey

FRMULVSYTSBJHX-UHFFFAOYSA-N

Compound name

2-oxo-1-propan-2-ylpyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 181.0739 Da
Monoisotopic Mass: 0.4
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	136.9
[M+Na]+	204.06312	148.8
[M+NH4]+	199.10772	143.4
[M+K]+	220.03706	144.7
[M-H]-	180.06662	136.5
[M+Na-2H]-	202.04857	141.8
[M]+	181.07335	138.2
[M]-	181.07445	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe