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

549
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 141.9
[M+Na]+ 223.05769 147.8
[M-H]- 199.06119 140.6
[M+NH4]+ 218.10229 160.1
[M+K]+ 239.03163 147.8
[M+H-H2O]+ 183.06573 137.1
[M+HCOO]- 245.06667 161.3
[M+CH3COO]- 259.08232 182.2
[M+Na-2H]- 221.04314 142.2
[M]+ 200.06792 144.2
[M]- 200.06902 144.2
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