CID 61266128

1249219-78-0

Structural Information

Molecular Formula
C8H15NO4S
SMILES
CC(C)(C(=O)O)N1CCS(=O)(=O)CC1
InChI
InChI=1S/C8H15NO4S/c1-8(2,7(10)11)9-3-5-14(12,13)6-4-9/h3-6H2,1-2H3,(H,10,11)
InChIKey
DYIGIFSYEYOLBF-UHFFFAOYSA-N
Compound name
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.07217 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.079446 145.1
[M+Na]+ 244.061388 151.6
[M-H]- 220.064894 145.6
[M+NH4]+ 239.105993 163.6
[M+K]+ 260.035328 150.2
[M+H-H2O]+ 204.069430 140.6
[M+HCOO]- 266.070371 156.3
[M+CH3COO]- 280.086021 180.9
[M+Na-2H]- 242.046836 148.2
[M]+ 221.07162142 144.6
[M]- 221.07271858 144.6
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.