CID 6427118

Furan, 3-(ethyldithio)-2-methyl-

Structural Information

Molecular Formula
C7H10OS2
SMILES
CCSSC1=C(OC=C1)C
InChI
InChI=1S/C7H10OS2/c1-3-9-10-7-4-5-8-6(7)2/h4-5H,3H2,1-2H3
InChIKey
ZPINLCXQMSVOQT-UHFFFAOYSA-N
Compound name
3-(ethyldisulfanyl)-2-methylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
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 132.4
[M+Na]+ 197.00652 142.4
[M-H]- 173.01002 137.4
[M+NH4]+ 192.05112 154.5
[M+K]+ 212.98046 140.5
[M+H-H2O]+ 157.01456 127.9
[M+HCOO]- 219.01550 146.9
[M+CH3COO]- 233.03115 177.4
[M+Na-2H]- 194.99197 133.5
[M]+ 174.01675 137.7
[M]- 174.01785 137.7
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