CID 145454

94594-90-8

Structural Information

Molecular Formula
C10H17NO2S
SMILES
CC1(C2CCC13CS(=O)(=O)NC3C2)C
InChI
InChI=1S/C10H17NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7-8,11H,3-6H2,1-2H3
InChIKey
DPJYJNYYDJOJNO-UHFFFAOYSA-N
Compound name
10,10-dimethyl-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

511
Patents

215.098 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10528 146.8
[M+Na]+ 238.08722 157.6
[M-H]- 214.09072 149.5
[M+NH4]+ 233.13182 177.5
[M+K]+ 254.06116 154.3
[M+H-H2O]+ 198.09526 145.2
[M+HCOO]- 260.09620 160.4
[M+CH3COO]- 274.11185 160.2
[M+Na-2H]- 236.07267 149.4
[M]+ 215.09745 148.6
[M]- 215.09855 148.6
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.