CID 137935948

2253631-34-2

Structural Information

Molecular Formula
C6H10INO2S
SMILES
C1CC12CC(NS2(=O)=O)CI
InChI
InChI=1S/C6H10INO2S/c7-4-5-3-6(1-2-6)11(9,10)8-5/h5,8H,1-4H2
InChIKey
UOACTYLDBVAKCN-UHFFFAOYSA-N
Compound name
6-(iodomethyl)-4lambda6-thia-5-azaspiro[2.4]heptane 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.9477 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.95498 140.3
[M+Na]+ 309.93692 144.6
[M-H]- 285.94042 138.1
[M+NH4]+ 304.98152 155.2
[M+K]+ 325.91086 147.6
[M+H-H2O]+ 269.94496 133.5
[M+HCOO]- 331.94590 151.3
[M+CH3COO]- 345.96155 184.0
[M+Na-2H]- 307.92237 133.5
[M]+ 286.94715 140.4
[M]- 286.94825 140.4
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.