CID 73554813

2-ethynyl-4-methylthiazole

Structural Information

Molecular Formula
C6H5NS
SMILES
CC1=CSC(=N1)C#C
InChI
InChI=1S/C6H5NS/c1-3-6-7-5(2)4-8-6/h1,4H,2H3
InChIKey
GXICJSRJEHQZMJ-UHFFFAOYSA-N
Compound name
2-ethynyl-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

123.01427 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.02155 118.6
[M+Na]+ 146.00349 130.7
[M+NH4]+ 141.04809 124.7
[M+K]+ 161.97743 121.6
[M-H]- 122.00699 112.5
[M+Na-2H]- 143.98894 122.0
[M]+ 123.01372 118.2
[M]- 123.01482 118.2
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