CID 137935841

2253631-09-1

Structural Information

Molecular Formula
C6H10O4S
SMILES
C1CC2(C1)COS(=O)(=O)OC2
InChI
InChI=1S/C6H10O4S/c7-11(8)9-4-6(5-10-11)2-1-3-6/h1-5H2
InChIKey
LTUFYOXRHRWJDU-UHFFFAOYSA-N
Compound name
6,8-dioxa-7lambda6-thiaspiro[3.5]nonane 7,7-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.02998 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03726 119.9
[M+Na]+ 201.01920 125.7
[M-H]- 177.02270 126.7
[M+NH4]+ 196.06380 135.1
[M+K]+ 216.99314 130.8
[M+H-H2O]+ 161.02724 111.4
[M+HCOO]- 223.02818 133.9
[M+CH3COO]- 237.04383 175.6
[M+Na-2H]- 199.00465 129.1
[M]+ 178.02943 129.4
[M]- 178.03053 129.4
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.