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

190
Patents

215.098 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.105276 146.8
[M+Na]+ 238.087218 157.6
[M-H]- 214.090724 149.5
[M+NH4]+ 233.131823 177.5
[M+K]+ 254.061158 154.3
[M+H-H2O]+ 198.095260 145.2
[M+HCOO]- 260.096201 160.4
[M+CH3COO]- 274.111851 160.2
[M+Na-2H]- 236.072666 149.4
[M]+ 215.09745142 148.6
[M]- 215.09854858 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

literature stripe

Patent stripe

patents stripe