CID 526180

Bis(2-methyl-4,5-dihydro-3-furyl) disulfide

Structural Information

Molecular Formula
C10H14O2S2
SMILES
CC1=C(CCO1)SSC2=C(OCC2)C
InChI
InChI=1S/C10H14O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H2,1-2H3
InChIKey
KMPMFKJGGUSVMW-UHFFFAOYSA-N
Compound name
5-methyl-4-[(5-methyl-2,3-dihydrofuran-4-yl)disulfanyl]-2,3-dihydrofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

230.04352 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05080 148.9
[M+Na]+ 253.03274 158.6
[M-H]- 229.03624 157.7
[M+NH4]+ 248.07734 169.5
[M+K]+ 269.00668 157.9
[M+H-H2O]+ 213.04078 145.6
[M+HCOO]- 275.04172 162.2
[M+CH3COO]- 289.05737 162.8
[M+Na-2H]- 251.01819 147.4
[M]+ 230.04297 153.8
[M]- 230.04407 153.8
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