CID 17963838

58731-00-3

Structural Information

Molecular Formula
C6H11NO2S
SMILES
C1CC2CCC1NS2(=O)=O
InChI
InChI=1S/C6H11NO2S/c8-10(9)6-3-1-5(7-10)2-4-6/h5-7H,1-4H2
InChIKey
WAZHMGBKFKIOPI-UHFFFAOYSA-N
Compound name
2lambda6-thia-3-azabicyclo[2.2.2]octane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.05106 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.058336 128.6
[M+Na]+ 184.040278 135.1
[M-H]- 160.043784 122.9
[M+NH4]+ 179.084883 154.3
[M+K]+ 200.014218 133.0
[M+H-H2O]+ 144.048320 125.3
[M+HCOO]- 206.049261 134.8
[M+CH3COO]- 220.064911 139.7
[M+Na-2H]- 182.025726 140.5
[M]+ 161.05051142 130.5
[M]- 161.05160858 130.5
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.