CID 20313888

2,5-dimethyl-3-(methyldithio)furan

Structural Information

Molecular Formula
C7H10OS2
SMILES
CC1=CC(=C(O1)C)SSC
InChI
InChI=1S/C7H10OS2/c1-5-4-7(10-9-3)6(2)8-5/h4H,1-3H3
InChIKey
ZZXDUGZYDILQMO-UHFFFAOYSA-N
Compound name
2,5-dimethyl-3-(methyldisulfanyl)furan
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

5
Patents

174.0173 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02458 131.6
[M+Na]+ 197.00652 142.4
[M-H]- 173.01002 137.0
[M+NH4]+ 192.05112 154.1
[M+K]+ 212.98046 140.5
[M+H-H2O]+ 157.01456 127.4
[M+HCOO]- 219.01550 146.1
[M+CH3COO]- 233.03115 178.5
[M+Na-2H]- 194.99197 132.2
[M]+ 174.01675 137.3
[M]- 174.01785 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe