CID 61979

Fema no. 3270

Structural Information

Molecular Formula
C10H16O2S2
SMILES
CC1C2(CCO1)SC3CCOC3(S2)C
InChI
InChI=1S/C10H16O2S2/c1-7-10(4-6-11-7)13-8-3-5-12-9(8,2)14-10/h7-8H,3-6H2,1-2H3
InChIKey
LGPJANFPSFABDB-UHFFFAOYSA-N
Compound name
2',3a-dimethylspiro[6,6a-dihydro-5H-[1,3]dithiolo[4,5-b]furan-2,3'-oxolane]
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

87
Patents

232.05917 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06645 148.0
[M+Na]+ 255.04839 157.7
[M-H]- 231.05189 155.8
[M+NH4]+ 250.09299 175.0
[M+K]+ 271.02233 158.2
[M+H-H2O]+ 215.05643 148.2
[M+HCOO]- 277.05737 158.0
[M+CH3COO]- 291.07302 161.8
[M+Na-2H]- 253.03384 149.3
[M]+ 232.05862 150.6
[M]- 232.05972 150.6
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

patents stripe