CID 14297379

Ethyl 2,5-dimethyl-3-oxo-4(2h)-furyl carbonate

Structural Information

Molecular Formula
C9H12O5
SMILES
CCOC(=O)OC1=C(OC(C1=O)C)C
InChI
InChI=1S/C9H12O5/c1-4-12-9(11)14-8-6(3)13-5(2)7(8)10/h5H,4H2,1-3H3
InChIKey
AVJSAOBNPIMLKX-UHFFFAOYSA-N
Compound name
(2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

200.06847 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07575 138.4
[M+Na]+ 223.05769 147.7
[M-H]- 199.06119 143.4
[M+NH4]+ 218.10229 158.7
[M+K]+ 239.03163 148.9
[M+H-H2O]+ 183.06573 133.8
[M+HCOO]- 245.06667 161.8
[M+CH3COO]- 259.08232 183.3
[M+Na-2H]- 221.04314 141.6
[M]+ 200.06792 144.4
[M]- 200.06902 144.4
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