CID 122163613

5-ethynyl-2-methoxy-1,3-thiazole

Structural Information

Molecular Formula
C6H5NOS
SMILES
COC1=NC=C(S1)C#C
InChI
InChI=1S/C6H5NOS/c1-3-5-4-7-6(8-2)9-5/h1,4H,2H3
InChIKey
NXVQFFYXGRCMSL-UHFFFAOYSA-N
Compound name
5-ethynyl-2-methoxy-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 127.7
[M+Na]+ 161.99841 140.2
[M-H]- 138.00191 129.9
[M+NH4]+ 157.04301 148.4
[M+K]+ 177.97235 137.8
[M+H-H2O]+ 122.00645 116.1
[M+HCOO]- 184.00739 142.2
[M+CH3COO]- 198.02304 179.7
[M+Na-2H]- 159.98386 130.1
[M]+ 139.00864 125.7
[M]- 139.00974 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