CID 162292

1-(4-methylthiazol-5-yl)ethanone

Structural Information

Molecular Formula
C6H7NOS
SMILES
CC1=C(SC=N1)C(=O)C
InChI
InChI=1S/C6H7NOS/c1-4-6(5(2)8)9-3-7-4/h3H,1-2H3
InChIKey
MBLHLRLBSIWLMG-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,3-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

127
Patents

141.02484 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03212 126.0
[M+Na]+ 164.01406 136.0
[M-H]- 140.01756 129.3
[M+NH4]+ 159.05866 149.0
[M+K]+ 179.98800 134.7
[M+H-H2O]+ 124.02210 120.7
[M+HCOO]- 186.02304 145.1
[M+CH3COO]- 200.03869 172.0
[M+Na-2H]- 161.99951 127.9
[M]+ 141.02429 128.9
[M]- 141.02539 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe