CID 4962531

855991-78-5

Structural Information

Molecular Formula
C11H10N2O3S
SMILES
CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)O
InChI
InChI=1S/C11H10N2O3S/c1-7-5-8(13-16-7)6-17-10-9(11(14)15)3-2-4-12-10/h2-5H,6H2,1H3,(H,14,15)
InChIKey
BKCSWMINXLOCCL-UHFFFAOYSA-N
Compound name
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.04121 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04849 153.9
[M+Na]+ 273.03043 166.3
[M+NH4]+ 268.07503 160.8
[M+K]+ 289.00437 161.3
[M-H]- 249.03393 156.7
[M+Na-2H]- 271.01588 159.2
[M]+ 250.04066 156.8
[M]- 250.04176 156.8
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.