CID 109620

Ethyl 2-methyl-4-oxo-4h-pyran-3-yl carbonate

Structural Information

Molecular Formula
C9H10O5
SMILES
CCOC(=O)OC1=C(OC=CC1=O)C
InChI
InChI=1S/C9H10O5/c1-3-12-9(11)14-8-6(2)13-5-4-7(8)10/h4-5H,3H2,1-2H3
InChIKey
DQZXNGSIZXPSOD-UHFFFAOYSA-N
Compound name
ethyl (2-methyl-4-oxopyran-3-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

198.05283 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.060106 136.0
[M+Na]+ 221.042048 145.6
[M-H]- 197.045554 141.2
[M+NH4]+ 216.086653 154.5
[M+K]+ 237.015988 146.7
[M+H-H2O]+ 181.050090 130.2
[M+HCOO]- 243.051031 160.3
[M+CH3COO]- 257.066681 181.8
[M+Na-2H]- 219.027496 142.8
[M]+ 198.05228142 142.5
[M]- 198.05337858 142.5
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.