CID 21118956

63549-11-1

Structural Information

Molecular Formula
C10H14O3S
SMILES
CC1CCC2=C(C1)OS(=O)(=O)C=C2C
InChI
InChI=1S/C10H14O3S/c1-7-3-4-9-8(2)6-14(11,12)13-10(9)5-7/h6-7H,3-5H2,1-2H3
InChIKey
LERWMOJKRXJYAC-UHFFFAOYSA-N
Compound name
4,7-dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.06636 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07364 139.3
[M+Na]+ 237.05558 148.8
[M-H]- 213.05908 144.9
[M+NH4]+ 232.10018 160.8
[M+K]+ 253.02952 147.5
[M+H-H2O]+ 197.06362 134.7
[M+HCOO]- 259.06456 154.1
[M+CH3COO]- 273.08021 184.3
[M+Na-2H]- 235.04103 145.0
[M]+ 214.06581 141.5
[M]- 214.06691 141.5
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.