CID 12664278

5-methyl-[1,3]oxazolo[4,5-b]pyridine-2-thiol

Structural Information

Molecular Formula
C7H6N2OS
SMILES
CC1=NC2=C(C=C1)OC(=S)N2
InChI
InChI=1S/C7H6N2OS/c1-4-2-3-5-6(8-4)9-7(11)10-5/h2-3H,1H3,(H,8,9,11)
InChIKey
MGXUVVBOGPSKRQ-UHFFFAOYSA-N
Compound name
5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

166.02008 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.027356 128.1
[M+Na]+ 189.009298 141.6
[M-H]- 165.012804 131.1
[M+NH4]+ 184.053903 148.5
[M+K]+ 204.983238 138.3
[M+H-H2O]+ 149.017340 122.9
[M+HCOO]- 211.018281 146.1
[M+CH3COO]- 225.033931 143.1
[M+Na-2H]- 186.994746 134.3
[M]+ 166.01953142 132.1
[M]- 166.02062858 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe