CID 82418072

90724-49-5

Structural Information

Molecular Formula
C6H7NOS
SMILES
CC1=NSC(=C1)C(=O)C
InChI
InChI=1S/C6H7NOS/c1-4-3-6(5(2)8)9-7-4/h3H,1-2H3
InChIKey
AZTCKFIGYKOLKV-UHFFFAOYSA-N
Compound name
1-(3-methyl-1,2-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

141.02484 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.032116 126.0
[M+Na]+ 164.014058 136.0
[M-H]- 140.017564 129.3
[M+NH4]+ 159.058663 149.0
[M+K]+ 179.987998 134.7
[M+H-H2O]+ 124.022100 120.7
[M+HCOO]- 186.023041 145.1
[M+CH3COO]- 200.038691 172.0
[M+Na-2H]- 161.999506 127.9
[M]+ 141.02429142 128.9
[M]- 141.02538858 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

No literature data available for this compound.

Patent stripe

patents stripe