CID 556940

Ethyl 3-(furfurylthio)propionate

Structural Information

Molecular Formula
C10H14O3S
SMILES
CCOC(=O)CCSCC1=CC=CO1
InChI
InChI=1S/C10H14O3S/c1-2-12-10(11)5-7-14-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3
InChIKey
ZKCVVCLCYIXCOD-UHFFFAOYSA-N
Compound name
ethyl 3-(furan-2-ylmethylsulfanyl)propanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

116
Patents

214.06636 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07364 148.1
[M+Na]+ 237.05558 157.9
[M+NH4]+ 232.10018 155.9
[M+K]+ 253.02952 152.2
[M-H]- 213.05908 150.0
[M+Na-2H]- 235.04103 151.3
[M]+ 214.06581 150.3
[M]- 214.06691 150.3
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