CID 294138

51314-49-9

Structural Information

Molecular Formula
C9H17NO3S
SMILES
CC1(C(CS1(=O)=O)N2CCOCC2)C
InChI
InChI=1S/C9H17NO3S/c1-9(2)8(7-14(9,11)12)10-3-5-13-6-4-10/h8H,3-7H2,1-2H3
InChIKey
CVTXMNXXSOPOSG-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.09291 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10019 137.5
[M+Na]+ 242.08213 143.2
[M-H]- 218.08563 143.0
[M+NH4]+ 237.12673 151.1
[M+K]+ 258.05607 146.2
[M+H-H2O]+ 202.09017 127.7
[M+HCOO]- 264.09111 149.7
[M+CH3COO]- 278.10676 186.5
[M+Na-2H]- 240.06758 141.9
[M]+ 219.09236 146.5
[M]- 219.09346 146.5
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.