CID 124252704

2059915-51-2

Structural Information

Molecular Formula
C8H13NO2S
SMILES
C1[C@@H]2[C@H](CN1)[C@@H]3[C@H]2CS(=O)(=O)C3
InChI
InChI=1S/C8H13NO2S/c10-12(11)3-7-5-1-9-2-6(5)8(7)4-12/h5-9H,1-4H2/t5-,6+,7+,8-
InChIKey
LBQQGBFFFJZGFU-SOSBWXJGSA-N
Compound name
(1R,2S,6R,7S)-4lambda6-thia-9-azatricyclo[5.3.0.02,6]decane 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.0667 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07398 133.4
[M+Na]+ 210.05592 140.9
[M-H]- 186.05942 136.4
[M+NH4]+ 205.10052 152.8
[M+K]+ 226.02986 140.8
[M+H-H2O]+ 170.06396 125.7
[M+HCOO]- 232.06490 146.3
[M+CH3COO]- 246.08055 178.9
[M+Na-2H]- 208.04137 135.2
[M]+ 187.06615 141.5
[M]- 187.06725 141.5
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.