CID 43379426

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

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CCC1=CC(=C2C(=NOC2=N1)CC(C)(C)C)C(=O)O
InChI
InChI=1S/C14H18N2O3/c1-5-8-6-9(13(17)18)11-10(7-14(2,3)4)16-19-12(11)15-8/h6H,5,7H2,1-4H3,(H,17,18)
InChIKey
TZVUDTSLBCIJHJ-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylpropyl)-6-ethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 159.8
[M+Na]+ 285.12096 172.1
[M+NH4]+ 280.16556 165.8
[M+K]+ 301.09490 169.7
[M-H]- 261.12446 160.2
[M+Na-2H]- 283.10641 163.1
[M]+ 262.13119 161.6
[M]- 262.13229 161.6
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.