CID 211049

22131-64-2

Structural Information

Molecular Formula
C9H11ClN2O2S
SMILES
CC1=NSC(=C1C(=O)N2CCOCC2)Cl
InChI
InChI=1S/C9H11ClN2O2S/c1-6-7(8(10)15-11-6)9(13)12-2-4-14-5-3-12/h2-5H2,1H3
InChIKey
WTRGRISRPKBFIM-UHFFFAOYSA-N
Compound name
(5-chloro-3-methyl-1,2-thiazol-4-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.02298 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.030256 151.3
[M+Na]+ 269.012198 159.9
[M-H]- 245.015704 156.2
[M+NH4]+ 264.056803 168.0
[M+K]+ 284.986138 157.5
[M+H-H2O]+ 229.020240 144.9
[M+HCOO]- 291.021181 160.3
[M+CH3COO]- 305.036831 163.3
[M+Na-2H]- 266.997646 150.8
[M]+ 246.02243142 153.1
[M]- 246.02352858 153.1
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.