CID 56842125

Einecs 253-885-2

Structural Information

Molecular Formula
C10H16O2S2
SMILES
CC1C2C(CO1)SC3(S2)CCOC3C
InChI
InChI=1S/C10H16O2S2/c1-6-9-8(5-12-6)13-10(14-9)3-4-11-7(10)2/h6-9H,3-5H2,1-2H3
InChIKey
KKEFRICKADNKCV-UHFFFAOYSA-N
Compound name
2',4-dimethylspiro[3a,4,6,6a-tetrahydro-[1,3]dithiolo[4,5-c]furan-2,3'-oxolane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.05917 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06645 148.5
[M+Na]+ 255.04839 156.0
[M+NH4]+ 250.09299 160.2
[M+K]+ 271.02233 151.0
[M-H]- 231.05189 153.3
[M+Na-2H]- 253.03384 149.7
[M]+ 232.05862 151.9
[M]- 232.05972 151.9
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.