CID 30581

2-acetoacetoxyethyl acrylate

Structural Information

Molecular Formula
C9H12O5
SMILES
CC(=O)CC(=O)OC(=O)C(=C)CCO
InChI
InChI=1S/C9H12O5/c1-6(3-4-10)9(13)14-8(12)5-7(2)11/h10H,1,3-5H2,2H3
InChIKey
ZGLJYJVYUYQOHR-UHFFFAOYSA-N
Compound name
3-oxobutanoyl 4-hydroxy-2-methylidenebutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

548
Patents

200.06847 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07575 143.9
[M+Na]+ 223.05769 150.8
[M+NH4]+ 218.10229 148.0
[M+K]+ 239.03163 149.1
[M-H]- 199.06119 139.4
[M+Na-2H]- 221.04314 143.4
[M]+ 200.06792 142.9
[M]- 200.06902 142.9
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