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 149.5
[M+Na]+ 251.04609 157.9
[M-H]- 227.04959 152.6
[M+NH4]+ 246.09069 168.7
[M+K]+ 267.02003 156.3
[M+H-H2O]+ 211.05413 143.2
[M+HCOO]- 273.05507 168.2
[M+CH3COO]- 287.07072 189.7
[M+Na-2H]- 249.03154 149.0
[M]+ 228.05632 154.4
[M]- 228.05742 154.4
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.