CID 43379425

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

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CCC1=CC(=C2C(=NOC2=N1)C(C)C)C(=O)O
InChI
InChI=1S/C12H14N2O3/c1-4-7-5-8(12(15)16)9-10(6(2)3)14-17-11(9)13-7/h5-6H,4H2,1-3H3,(H,15,16)
InChIKey
PTBZCNKPNPBBSM-UHFFFAOYSA-N
Compound name
6-ethyl-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

234.10045 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 151.1
[M+Na]+ 257.08967 161.6
[M-H]- 233.09317 153.4
[M+NH4]+ 252.13427 167.7
[M+K]+ 273.06361 159.9
[M+H-H2O]+ 217.09771 144.5
[M+HCOO]- 279.09865 170.5
[M+CH3COO]- 293.11430 190.9
[M+Na-2H]- 255.07512 155.0
[M]+ 234.09990 156.4
[M]- 234.10100 156.4
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