CID 18802093

937691-36-6

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₃

SMILES

CCC1=CC(=C2C(=NOC2=N1)C)C(=O)O

InChI

InChI=1S/C10H10N2O3/c1-3-6-4-7(10(13)14)8-5(2)12-15-9(8)11-6/h4H,3H2,1-2H3,(H,13,14)

InChIKey

SYMJIFPZZGOKLH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 206.06914 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]+	207.076416	141.4
[M+Na]+	229.058358	153.1
[M-H]-	205.061864	144.0
[M+NH4]+	224.102963	159.3
[M+K]+	245.032298	151.4
[M+H-H2O]+	189.066400	135.0
[M+HCOO]-	251.067341	162.5
[M+CH3COO]-	265.082991	184.0
[M+Na-2H]-	227.043806	147.6
[M]+	206.06859142	146.7
[M]-	206.06968858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe