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]+ 277.07720 162.1
[M+Na]+ 299.05914 170.4
[M-H]- 275.06264 166.2
[M+NH4]+ 294.10374 181.0
[M+K]+ 315.03308 167.6
[M+H-H2O]+ 259.06718 156.0
[M+HCOO]- 321.06812 176.6
[M+CH3COO]- 335.08377 201.4
[M+Na-2H]- 297.04459 160.4
[M]+ 276.06937 170.7
[M]- 276.07047 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.