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]+ 247.10773 157.1
[M+Na]+ 269.08967 168.9
[M-H]- 245.09317 163.1
[M+NH4]+ 264.13427 168.3
[M+K]+ 285.06361 165.1
[M+H-H2O]+ 229.09771 149.9
[M+HCOO]- 291.09865 176.3
[M+CH3COO]- 305.11430 195.3
[M+Na-2H]- 267.07512 160.4
[M]+ 246.09990 163.6
[M]- 246.10100 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