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

1
Patents

123.01427 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.021546 124.9
[M+Na]+ 146.003488 137.5
[M-H]- 122.006994 127.1
[M+NH4]+ 141.048093 146.2
[M+K]+ 161.977428 134.7
[M+H-H2O]+ 106.011530 113.5
[M+HCOO]- 168.012471 139.2
[M+CH3COO]- 182.028121 178.0
[M+Na-2H]- 143.988936 127.2
[M]+ 123.01372142 121.6
[M]- 123.01481858 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

patents stripe