CID 58203

101198-14-5

Structural Information

Molecular Formula
C12H20O2S2
SMILES
CC1(CC2(CC3(C1)OCCS3)OCCS2)C
InChI
InChI=1S/C12H20O2S2/c1-10(2)7-11(13-3-5-15-11)9-12(8-10)14-4-6-16-12/h3-9H2,1-2H3
InChIKey
KDAWXDZFKRJURZ-UHFFFAOYSA-N
Compound name
13,13-dimethyl-1,11-dioxa-4,8-dithiadispiro[4.1.47.35]tetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.09048 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09776 153.5
[M+Na]+ 283.07970 160.6
[M-H]- 259.08320 161.2
[M+NH4]+ 278.12430 178.2
[M+K]+ 299.05364 160.7
[M+H-H2O]+ 243.08774 151.6
[M+HCOO]- 305.08868 160.7
[M+CH3COO]- 319.10433 165.5
[M+Na-2H]- 281.06515 156.3
[M]+ 260.08993 152.2
[M]- 260.09103 152.2
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.