CID 16789523

3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CC(C)(C)C1=NOC2=C1C=C(C=N2)C(=O)O
InChI
InChI=1S/C11H12N2O3/c1-11(2,3)8-7-4-6(10(14)15)5-12-9(7)16-13-8/h4-5H,1-3H3,(H,14,15)
InChIKey
KFDBNPDVIQMHPC-UHFFFAOYSA-N
Compound name
3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 146.1
[M+Na]+ 243.07402 158.6
[M+NH4]+ 238.11862 152.6
[M+K]+ 259.04796 156.8
[M-H]- 219.07752 146.5
[M+Na-2H]- 241.05947 150.5
[M]+ 220.08425 147.9
[M]- 220.08535 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.