CID 3164323

878437-08-2

Structural Information

Molecular Formula
C8H11ClN2OS
SMILES
CCC1=C(SC(=N1)NC(=O)CCl)C
InChI
InChI=1S/C8H11ClN2OS/c1-3-6-5(2)13-8(10-6)11-7(12)4-9/h3-4H2,1-2H3,(H,10,11,12)
InChIKey
MSHQDDQHSXQNNX-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.02806 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03534 145.7
[M+Na]+ 241.01728 155.4
[M-H]- 217.02078 148.8
[M+NH4]+ 236.06188 166.4
[M+K]+ 256.99122 151.4
[M+H-H2O]+ 201.02532 140.5
[M+HCOO]- 263.02626 160.5
[M+CH3COO]- 277.04191 187.0
[M+Na-2H]- 239.00273 146.0
[M]+ 218.02751 150.4
[M]- 218.02861 150.4
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.