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]+ 192.06889 134.7
[M+Na]+ 214.05083 141.6
[M-H]- 190.05433 141.2
[M+NH4]+ 209.09543 157.5
[M+K]+ 230.02477 142.3
[M+H-H2O]+ 174.05887 131.0
[M+HCOO]- 236.05981 150.1
[M+CH3COO]- 250.07546 175.9
[M+Na-2H]- 212.03628 141.9
[M]+ 191.06106 132.3
[M]- 191.06216 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.