CID 519751

Furfuryl ethyl sulfide

Structural Information

Molecular Formula
C7H10OS
SMILES
CCSCC1=CC=CO1
InChI
InChI=1S/C7H10OS/c1-2-9-6-7-4-3-5-8-7/h3-5H,2,6H2,1H3
InChIKey
WGQJSONNMGREEA-UHFFFAOYSA-N
Compound name
2-(ethylsulfanylmethyl)furan
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

22
Patents

142.04524 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.052516 127.1
[M+Na]+ 165.034458 136.0
[M-H]- 141.037964 131.9
[M+NH4]+ 160.079063 150.0
[M+K]+ 181.008398 135.6
[M+H-H2O]+ 125.042500 122.4
[M+HCOO]- 187.043441 147.3
[M+CH3COO]- 201.059091 171.3
[M+Na-2H]- 163.019906 131.4
[M]+ 142.04469142 131.3
[M]- 142.04578858 131.3
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