CID 9291137

900136-96-1

Structural Information

Molecular Formula

C₁₂H₈N₂O₄

SMILES

CC1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(=O)O

InChI

InChI=1S/C12H8N2O4/c1-6-10-7(12(15)16)5-8(9-3-2-4-17-9)13-11(10)18-14-6/h2-5H,1H3,(H,15,16)

InChIKey

CDSYAVVUQVMVKQ-UHFFFAOYSA-N

Compound name

6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.0484 Da
Monoisotopic Mass: 1.7
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]+	245.055676	148.7
[M+Na]+	267.037618	160.6
[M-H]-	243.041124	155.7
[M+NH4]+	262.082223	165.0
[M+K]+	283.011558	159.7
[M+H-H2O]+	227.045660	142.6
[M+HCOO]-	289.046601	170.6
[M+CH3COO]-	303.062251	163.0
[M+Na-2H]-	265.023066	153.8
[M]+	244.04785142	155.0
[M]-	244.04894858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.