CID 30962

22164-92-7

Structural Information

Molecular Formula
C9H13ClN2O2S
SMILES
CC1=NSC(=C1C(=O)OCCN(C)C)Cl
InChI
InChI=1S/C9H13ClN2O2S/c1-6-7(8(10)15-11-6)9(13)14-5-4-12(2)3/h4-5H2,1-3H3
InChIKey
VIWPFHJCPBDCTB-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.03862 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04590 153.0
[M+Na]+ 271.02784 162.2
[M-H]- 247.03134 157.5
[M+NH4]+ 266.07244 173.0
[M+K]+ 287.00178 159.9
[M+H-H2O]+ 231.03588 147.3
[M+HCOO]- 293.03682 168.2
[M+CH3COO]- 307.05247 195.4
[M+Na-2H]- 269.01329 152.4
[M]+ 248.03807 160.9
[M]- 248.03917 160.9
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.