CID 16205802

2-ethyl-4-oxo-4h-pyran-3-yl butyrate

Structural Information

Molecular Formula
C11H14O4
SMILES
CCCC(=O)OC1=C(OC=CC1=O)CC
InChI
InChI=1S/C11H14O4/c1-3-5-10(13)15-11-8(12)6-7-14-9(11)4-2/h6-7H,3-5H2,1-2H3
InChIKey
YVDBHRIILLVEBJ-UHFFFAOYSA-N
Compound name
(2-ethyl-4-oxopyran-3-yl) butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0892 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 143.6
[M+Na]+ 233.07842 156.3
[M+NH4]+ 228.12302 150.5
[M+K]+ 249.05236 151.2
[M-H]- 209.08192 145.7
[M+Na-2H]- 231.06387 148.6
[M]+ 210.08865 145.9
[M]- 210.08975 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.