CID 2763377

Ethyl 2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)acetate

Structural Information

Molecular Formula
C8H15NO4S
SMILES
CCOC(=O)CN1CCS(=O)(=O)CC1
InChI
InChI=1S/C8H15NO4S/c1-2-13-8(10)7-9-3-5-14(11,12)6-4-9/h2-7H2,1H3
InChIKey
KWVBKMSCALADDC-UHFFFAOYSA-N
Compound name
ethyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

221.07217 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07945 144.2
[M+Na]+ 244.06139 151.0
[M-H]- 220.06489 146.0
[M+NH4]+ 239.10599 163.5
[M+K]+ 260.03533 150.0
[M+H-H2O]+ 204.06943 138.8
[M+HCOO]- 266.07037 158.6
[M+CH3COO]- 280.08602 182.5
[M+Na-2H]- 242.04684 146.8
[M]+ 221.07162 146.0
[M]- 221.07272 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe