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]+ 199.06011 136.0
[M+Na]+ 221.04205 145.6
[M-H]- 197.04555 141.2
[M+NH4]+ 216.08665 154.5
[M+K]+ 237.01599 146.7
[M+H-H2O]+ 181.05009 130.2
[M+HCOO]- 243.05103 160.3
[M+CH3COO]- 257.06668 181.8
[M+Na-2H]- 219.02750 142.8
[M]+ 198.05228 142.5
[M]- 198.05338 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.