CID 16227229

900136-98-3

Structural Information

Molecular Formula

C₉H₈N₂O₃

SMILES

CC1=CC(=C2C(=NOC2=N1)C)C(=O)O

InChI

InChI=1S/C9H8N2O3/c1-4-3-6(9(12)13)7-5(2)11-14-8(7)10-4/h3H,1-2H3,(H,12,13)

InChIKey

FSGQUBXBQDIYBH-UHFFFAOYSA-N

Compound name

3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 192.0535 Da
Monoisotopic Mass: 1.3
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]+	193.06078	136.6
[M+Na]+	215.04272	148.8
[M-H]-	191.04622	139.4
[M+NH4]+	210.08732	155.1
[M+K]+	231.01666	147.3
[M+H-H2O]+	175.05076	130.5
[M+HCOO]-	237.05170	158.1
[M+CH3COO]-	251.06735	181.0
[M+Na-2H]-	213.02817	143.3
[M]+	192.05295	141.5
[M]-	192.05405	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe