CID 45079318

211943-08-7

Structural Information

Molecular Formula
C6H5NOS
SMILES
COC1=CSC(=N1)C#C
InChI
InChI=1S/C6H5NOS/c1-3-6-7-5(8-2)4-9-6/h1,4H,2H3
InChIKey
UVTCBYIMSVITGL-UHFFFAOYSA-N
Compound name
2-ethynyl-4-methoxy-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

139.00919 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.016466 127.7
[M+Na]+ 161.998408 140.2
[M-H]- 138.001914 129.9
[M+NH4]+ 157.043013 148.4
[M+K]+ 177.972348 137.8
[M+H-H2O]+ 122.006450 116.1
[M+HCOO]- 184.007391 142.2
[M+CH3COO]- 198.023041 179.7
[M+Na-2H]- 159.983856 130.1
[M]+ 139.00864142 125.7
[M]- 139.00973858 125.7
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