CID 16205802

Butanoic acid, 2-ethyl-4-oxo-4h-pyran-3-yl ester

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 142.6
[M+Na]+ 233.07842 151.4
[M-H]- 209.08192 147.4
[M+NH4]+ 228.12302 160.6
[M+K]+ 249.05236 151.4
[M+H-H2O]+ 193.08646 136.6
[M+HCOO]- 255.08740 166.0
[M+CH3COO]- 269.10305 186.3
[M+Na-2H]- 231.06387 148.3
[M]+ 210.08865 148.4
[M]- 210.08975 148.4
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

No patent data available for this compound.