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 148.7
[M+Na]+ 267.03762 160.6
[M-H]- 243.04112 155.7
[M+NH4]+ 262.08222 165.0
[M+K]+ 283.01156 159.7
[M+H-H2O]+ 227.04566 142.6
[M+HCOO]- 289.04660 170.6
[M+CH3COO]- 303.06225 163.0
[M+Na-2H]- 265.02307 153.8
[M]+ 244.04785 155.0
[M]- 244.04895 155.0
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.