CID 326548

Nsc298181

Structural Information

Molecular Formula
C11H21NO2S
SMILES
CN(C)C12CCCCCCC1S(=O)(=O)C2
InChI
InChI=1S/C11H21NO2S/c1-12(2)11-8-6-4-3-5-7-10(11)15(13,14)9-11/h10H,3-9H2,1-2H3
InChIKey
MFTJTAYYWXUIPR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-9,9-dioxo-9lambda6-thiabicyclo[6.2.0]decan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1293 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13658 151.3
[M+Na]+ 254.11852 154.9
[M-H]- 230.12202 153.7
[M+NH4]+ 249.16312 159.0
[M+K]+ 270.09246 156.8
[M+H-H2O]+ 214.12656 146.2
[M+HCOO]- 276.12750 157.6
[M+CH3COO]- 290.14315 227.7
[M+Na-2H]- 252.10397 151.3
[M]+ 231.12875 155.0
[M]- 231.12985 155.0
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.