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]+ 247.03026 151.3
[M+Na]+ 269.01220 159.9
[M-H]- 245.01570 156.2
[M+NH4]+ 264.05680 168.0
[M+K]+ 284.98614 157.5
[M+H-H2O]+ 229.02024 144.9
[M+HCOO]- 291.02118 160.3
[M+CH3COO]- 305.03683 163.3
[M+Na-2H]- 266.99765 150.8
[M]+ 246.02243 153.1
[M]- 246.02353 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.