CID 7131316

120750-19-8

Structural Information

Molecular Formula
C9H12N2O3S
SMILES
CCOC(=O)NC1=C(C(=NS1)C)C(=O)C
InChI
InChI=1S/C9H12N2O3S/c1-4-14-9(13)10-8-7(6(3)12)5(2)11-15-8/h4H2,1-3H3,(H,10,13)
InChIKey
JDCAMRDRXRPOOD-UHFFFAOYSA-N
Compound name
ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.05687 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06415 151.6
[M+Na]+ 251.04609 160.0
[M+NH4]+ 246.09069 157.9
[M+K]+ 267.02003 156.2
[M-H]- 227.04959 151.2
[M+Na-2H]- 249.03154 153.9
[M]+ 228.05632 152.7
[M]- 228.05742 152.7
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.