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

0
Patents

139.00919 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.01647 121.6
[M+Na]+ 161.99841 133.3
[M+NH4]+ 157.04301 127.2
[M+K]+ 177.97235 124.6
[M-H]- 138.00191 115.0
[M+Na-2H]- 159.98386 124.6
[M]+ 139.00864 121.0
[M]- 139.00974 121.0
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.