CID 137943394

2260932-00-9

Structural Information

Molecular Formula
C6H11NO3S
SMILES
C1CS(=N)(=O)CC12OCCO2
InChI
InChI=1S/C6H11NO3S/c7-11(8)4-1-6(5-11)9-2-3-10-6/h7H,1-5H2
InChIKey
FZODRUJTXQEUOC-UHFFFAOYSA-N
Compound name
7-imino-1,4-dioxa-7lambda6-thiaspiro[4.4]nonane 7-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04596 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.05324 131.2
[M+Na]+ 200.03518 139.6
[M-H]- 176.03868 138.3
[M+NH4]+ 195.07978 156.4
[M+K]+ 216.00912 140.5
[M+H-H2O]+ 160.04322 128.8
[M+HCOO]- 222.04416 149.1
[M+CH3COO]- 236.05981 145.7
[M+Na-2H]- 198.02063 137.6
[M]+ 177.04541 130.8
[M]- 177.04651 130.8
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.