CID 138006718

2241140-08-7

Structural Information

Molecular Formula
C7H13NO3S
SMILES
C1CS(=N)(=O)CCC12OCCO2
InChI
InChI=1S/C7H13NO3S/c8-12(9)5-1-7(2-6-12)10-3-4-11-7/h8H,1-6H2
InChIKey
QFHOWVUSTIZUGS-UHFFFAOYSA-N
Compound name
8-imino-1,4-dioxa-8lambda6-thiaspiro[4.5]decane 8-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06161 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.068886 134.7
[M+Na]+ 214.050828 141.6
[M-H]- 190.054334 141.2
[M+NH4]+ 209.095433 157.5
[M+K]+ 230.024768 142.3
[M+H-H2O]+ 174.058870 131.0
[M+HCOO]- 236.059811 150.1
[M+CH3COO]- 250.075461 175.9
[M+Na-2H]- 212.036276 141.9
[M]+ 191.06106142 132.3
[M]- 191.06215858 132.3
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.