CID 211051

Ethanaminium, 2-(((5-chloro-3-methyl-4-isothiazolyl)carbonyl)oxy)-n,n,n-trimethyl-, chloride

Structural Information

Molecular Formula
C10H18ClN2O2S
SMILES
CC1=NSCC1(C(=O)OCC[N+](C)(C)C)Cl
InChI
InChI=1S/C10H18ClN2O2S/c1-8-10(11,7-16-12-8)9(14)15-6-5-13(2,3)4/h5-7H2,1-4H3/q+1
InChIKey
XQJRJPXMQVQFNU-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-methyl-5H-1,2-thiazole-4-carbonyl)oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.07776 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08504 155.7
[M+Na]+ 288.06698 166.8
[M+NH4]+ 283.11158 165.9
[M+K]+ 304.04092 160.3
[M-H]- 264.07048 157.7
[M+Na-2H]- 286.05243 161.8
[M]+ 265.07721 159.0
[M]- 265.07831 159.0
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.