CID 16227392

923205-85-0

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₃

SMILES

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)O

InChI

InChI=1S/C10H10N2O3/c1-5(2)8-7-3-6(10(13)14)4-11-9(7)15-12-8/h3-5H,1-2H3,(H,13,14)

InChIKey

VFFCUAWIPNDEAX-UHFFFAOYSA-N

Compound name

3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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]+	207.07642	141.7
[M+Na]+	229.05836	152.1
[M-H]-	205.06186	144.0
[M+NH4]+	224.10296	159.1
[M+K]+	245.03230	150.9
[M+H-H2O]+	189.06640	135.1
[M+HCOO]-	251.06734	161.8
[M+CH3COO]-	265.08299	183.7
[M+Na-2H]-	227.04381	147.4
[M]+	206.06859	145.9
[M]-	206.06969	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe