CID 3015972

Einecs 253-883-1

Structural Information

Molecular Formula
C10H16O2S2
SMILES
CC1C(=CCO1)SC2(CCOC2C)S
InChI
InChI=1S/C10H16O2S2/c1-7-9(3-5-11-7)14-10(13)4-6-12-8(10)2/h3,7-8,13H,4-6H2,1-2H3
InChIKey
AGRIHDPBJMXWRQ-UHFFFAOYSA-N
Compound name
2-methyl-3-[(2-methyl-2,5-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

232.05917 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06645 147.7
[M+Na]+ 255.04839 156.8
[M-H]- 231.05189 156.0
[M+NH4]+ 250.09299 169.9
[M+K]+ 271.02233 156.7
[M+H-H2O]+ 215.05643 145.3
[M+HCOO]- 277.05737 159.4
[M+CH3COO]- 291.07302 161.4
[M+Na-2H]- 253.03384 147.2
[M]+ 232.05862 151.5
[M]- 232.05972 151.5
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

patents stripe