CID 221762

Benzoxazole, 2-(ethylthio)-

Structural Information

Molecular Formula
C9H9NOS
SMILES
CCSC1=NC2=CC=CC=C2O1
InChI
InChI=1S/C9H9NOS/c1-2-12-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3
InChIKey
VLYGQQAMXQYBAC-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

179.04048 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04776 132.7
[M+Na]+ 202.02970 144.5
[M-H]- 178.03320 137.8
[M+NH4]+ 197.07430 154.4
[M+K]+ 218.00364 142.5
[M+H-H2O]+ 162.03774 127.4
[M+HCOO]- 224.03868 152.7
[M+CH3COO]- 238.05433 148.0
[M+Na-2H]- 200.01515 139.3
[M]+ 179.03993 139.0
[M]- 179.04103 139.0
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.