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 149.6
[M+Na]+ 255.04839 159.3
[M-H]- 231.05189 157.7
[M+NH4]+ 250.09299 175.1
[M+K]+ 271.02233 159.6
[M+H-H2O]+ 215.05643 149.5
[M+HCOO]- 277.05737 159.6
[M+CH3COO]- 291.07302 163.3
[M+Na-2H]- 253.03384 148.6
[M]+ 232.05862 152.1
[M]- 232.05972 152.1
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.