CID 165664390

2408963-62-0

Structural Information

Molecular Formula
C10H15NO4S
SMILES
CC(C)(C)OC(=O)CC1C(=O)NC(=O)CS1
InChI
InChI=1S/C10H15NO4S/c1-10(2,3)15-8(13)4-6-9(14)11-7(12)5-16-6/h6H,4-5H2,1-3H3,(H,11,12,14)
InChIKey
DJKMEKURCWDTDC-UHFFFAOYSA-N
Compound name
tert-butyl 2-(3,5-dioxothiomorpholin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.07217 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07945 153.8
[M+Na]+ 268.06139 159.8
[M-H]- 244.06489 154.3
[M+NH4]+ 263.10599 169.7
[M+K]+ 284.03533 157.5
[M+H-H2O]+ 228.06943 148.3
[M+HCOO]- 290.07037 164.6
[M+CH3COO]- 304.08602 187.1
[M+Na-2H]- 266.04684 153.8
[M]+ 245.07162 153.9
[M]- 245.07272 153.9
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.