CID 145867103

2375270-61-2

Structural Information

Molecular Formula
C10H14O4S
SMILES
COCCSCC1=CC=C(O1)C(=O)OC
InChI
InChI=1S/C10H14O4S/c1-12-5-6-15-7-8-3-4-9(14-8)10(11)13-2/h3-4H,5-7H2,1-2H3
InChIKey
RAVNOEGQXXIVSU-UHFFFAOYSA-N
Compound name
methyl 5-(2-methoxyethylsulfanylmethyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06128 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06856 150.3
[M+Na]+ 253.05050 158.3
[M-H]- 229.05400 155.0
[M+NH4]+ 248.09510 169.6
[M+K]+ 269.02444 158.3
[M+H-H2O]+ 213.05854 144.8
[M+HCOO]- 275.05948 169.4
[M+CH3COO]- 289.07513 186.6
[M+Na-2H]- 251.03595 151.7
[M]+ 230.06073 158.8
[M]- 230.06183 158.8
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

No patent data available for this compound.