CID 9291137

900136-96-1

Structural Information

Molecular Formula
C12H8N2O4
SMILES
CC1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(=O)O
InChI
InChI=1S/C12H8N2O4/c1-6-10-7(12(15)16)5-8(9-3-2-4-17-9)13-11(10)18-14-6/h2-5H,1H3,(H,15,16)
InChIKey
CDSYAVVUQVMVKQ-UHFFFAOYSA-N
Compound name
6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0484 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05568 148.9
[M+Na]+ 267.03762 162.8
[M+NH4]+ 262.08222 155.7
[M+K]+ 283.01156 162.6
[M-H]- 243.04112 152.8
[M+Na-2H]- 265.02307 154.1
[M]+ 244.04785 151.9
[M]- 244.04895 151.9
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.