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]+ 249.045896 153.0
[M+Na]+ 271.027838 162.2
[M-H]- 247.031344 157.5
[M+NH4]+ 266.072443 173.0
[M+K]+ 287.001778 159.9
[M+H-H2O]+ 231.035880 147.3
[M+HCOO]- 293.036821 168.2
[M+CH3COO]- 307.052471 195.4
[M+Na-2H]- 269.013286 152.4
[M]+ 248.03807142 160.9
[M]- 248.03916858 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.