CID 16443415

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

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CC(C)C1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)O
InChI
InChI=1S/C13H14N2O3/c1-6(2)11-10-8(13(16)17)5-9(7-3-4-7)14-12(10)18-15-11/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKey
OSUYSRDLVHWIMU-UHFFFAOYSA-N
Compound name
6-cyclopropyl-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

6
Patents

246.10045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 157.1
[M+Na]+ 269.089668 168.9
[M-H]- 245.093174 163.1
[M+NH4]+ 264.134273 168.3
[M+K]+ 285.063608 165.1
[M+H-H2O]+ 229.097710 149.9
[M+HCOO]- 291.098651 176.3
[M+CH3COO]- 305.114301 195.3
[M+Na-2H]- 267.075116 160.4
[M]+ 246.09990142 163.6
[M]- 246.10099858 163.6
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

patents stripe