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]+ 222.07945 145.1
[M+Na]+ 244.06139 151.6
[M-H]- 220.06489 145.6
[M+NH4]+ 239.10599 163.6
[M+K]+ 260.03533 150.2
[M+H-H2O]+ 204.06943 140.6
[M+HCOO]- 266.07037 156.3
[M+CH3COO]- 280.08602 180.9
[M+Na-2H]- 242.04684 148.2
[M]+ 221.07162 144.6
[M]- 221.07272 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.