CID 16792393

3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1CC1C2=NOC3=C2C=C(C=N3)C(=O)O
InChI
InChI=1S/C10H8N2O3/c13-10(14)6-3-7-8(5-1-2-5)12-15-9(7)11-4-6/h3-5H,1-2H2,(H,13,14)
InChIKey
YXAXOVMRWOBRAP-UHFFFAOYSA-N
Compound name
3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.0535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 144.5
[M+Na]+ 227.04272 157.1
[M-H]- 203.04622 150.5
[M+NH4]+ 222.08732 157.1
[M+K]+ 243.01666 153.6
[M+H-H2O]+ 187.05076 137.4
[M+HCOO]- 249.05170 165.7
[M+CH3COO]- 263.06735 157.9
[M+Na-2H]- 225.02817 151.1
[M]+ 204.05295 150.2
[M]- 204.05405 150.2
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.