CID 31859

Brn 1115399

Structural Information

Molecular Formula
C11H17ClN2O2S
SMILES
CCN(CC)CCOC(=O)C1=C(SN=C1C)Cl
InChI
InChI=1S/C11H17ClN2O2S/c1-4-14(5-2)6-7-16-11(15)9-8(3)13-17-10(9)12/h4-7H2,1-3H3
InChIKey
CHSYANTYCNLRSL-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.06992 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.077196 162.1
[M+Na]+ 299.059138 170.4
[M-H]- 275.062644 166.2
[M+NH4]+ 294.103743 181.0
[M+K]+ 315.033078 167.6
[M+H-H2O]+ 259.067180 156.0
[M+HCOO]- 321.068121 176.6
[M+CH3COO]- 335.083771 201.4
[M+Na-2H]- 297.044586 160.4
[M]+ 276.06937142 170.7
[M]- 276.07046858 170.7
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.