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

32
Patents

166.02008 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.027356 127.8
[M+Na]+ 189.009298 140.5
[M-H]- 165.012804 131.7
[M+NH4]+ 184.053903 148.7
[M+K]+ 204.983238 138.9
[M+H-H2O]+ 149.017340 122.0
[M+HCOO]- 211.018281 147.1
[M+CH3COO]- 225.033931 143.2
[M+Na-2H]- 186.994746 135.1
[M]+ 166.01953142 133.8
[M]- 166.02062858 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