CID 16788787

953891-44-6

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₃

SMILES

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

InChI

InChI=1S/C11H12N2O3/c1-5(2)9-8-7(11(14)15)4-6(3)12-10(8)16-13-9/h4-5H,1-3H3,(H,14,15)

InChIKey

QXEGEYHKNDAFAW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 220.0848 Da
Monoisotopic Mass: 2.1
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]+	221.092076	146.3
[M+Na]+	243.074018	157.2
[M-H]-	219.077524	148.8
[M+NH4]+	238.118623	163.5
[M+K]+	259.047958	155.8
[M+H-H2O]+	203.082060	139.9
[M+HCOO]-	265.083001	166.0
[M+CH3COO]-	279.098651	187.9
[M+Na-2H]-	241.059466	150.7
[M]+	220.08425142	151.2
[M]-	220.08534858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe