CID 284872

37741-52-9

Structural Information

Molecular Formula
C10H17NO3S
SMILES
C1CC2C(C1)(CS2(=O)=O)N3CCOCC3
InChI
InChI=1S/C10H17NO3S/c12-15(13)8-10(3-1-2-9(10)15)11-4-6-14-7-5-11/h9H,1-8H2
InChIKey
LMSDNIXGYCSFGF-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.09291 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10019 139.8
[M+Na]+ 254.08213 145.0
[M-H]- 230.08563 145.7
[M+NH4]+ 249.12673 155.4
[M+K]+ 270.05607 147.3
[M+H-H2O]+ 214.09017 130.5
[M+HCOO]- 276.09111 151.2
[M+CH3COO]- 290.10676 186.4
[M+Na-2H]- 252.06758 144.0
[M]+ 231.09236 147.4
[M]- 231.09346 147.4
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.