CID 16788787

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 146.4
[M+Na]+ 243.07402 159.3
[M+NH4]+ 238.11862 153.0
[M+K]+ 259.04796 157.2
[M-H]- 219.07752 147.3
[M+Na-2H]- 241.05947 150.2
[M]+ 220.08425 148.3
[M]- 220.08535 148.3
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

patents stripe