CID 145915797

4-ethynyl-3-methyl-1,2-thiazole

Structural Information

Molecular Formula
C6H5NS
SMILES
CC1=NSC=C1C#C
InChI
InChI=1S/C6H5NS/c1-3-6-4-8-7-5(6)2/h1,4H,2H3
InChIKey
UIKPKRXDWPTMIJ-UHFFFAOYSA-N
Compound name
4-ethynyl-3-methyl-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 124.9
[M+Na]+ 146.00349 137.5
[M-H]- 122.00699 127.1
[M+NH4]+ 141.04809 146.2
[M+K]+ 161.97743 134.7
[M+H-H2O]+ 106.01153 113.5
[M+HCOO]- 168.01247 139.2
[M+CH3COO]- 182.02812 178.0
[M+Na-2H]- 143.98894 127.2
[M]+ 123.01372 121.6
[M]- 123.01482 121.6
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.