CID 10012272

120208-25-5

Structural Information

Molecular Formula
C7H6N2OS
SMILES
CSC1=NC2=C(O1)C=CN=C2
InChI
InChI=1S/C7H6N2OS/c1-11-7-9-5-4-8-3-2-6(5)10-7/h2-4H,1H3
InChIKey
NARDLOOJGQUXQV-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-[1,3]oxazolo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

166.02008 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02736 127.8
[M+Na]+ 189.00930 140.5
[M-H]- 165.01280 131.7
[M+NH4]+ 184.05390 148.7
[M+K]+ 204.98324 138.9
[M+H-H2O]+ 149.01734 122.0
[M+HCOO]- 211.01828 147.1
[M+CH3COO]- 225.03393 143.2
[M+Na-2H]- 186.99475 135.1
[M]+ 166.01953 133.8
[M]- 166.02063 133.8
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

patents stripe