CID 690359

Akos001717595

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
CSC1=NN=C(O1)C2=CC=CC=C2O
InChI
InChI=1S/C9H8N2O2S/c1-14-9-11-10-8(13-9)6-4-2-3-5-7(6)12/h2-5,12H,1H3
InChIKey
JYEJBEBTNYSSEM-UHFFFAOYSA-N
Compound name
2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

208.03065 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03793 140.7
[M+Na]+ 231.01987 151.7
[M-H]- 207.02337 145.5
[M+NH4]+ 226.06447 157.9
[M+K]+ 246.99381 149.2
[M+H-H2O]+ 191.02791 134.1
[M+HCOO]- 253.02885 158.3
[M+CH3COO]- 267.04450 154.5
[M+Na-2H]- 229.00532 144.3
[M]+ 208.03010 144.6
[M]- 208.03120 144.6
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