CID 14496496

3-ethoxy-3-oxopropyl acrylate

Structural Information

Molecular Formula
C8H12O4
SMILES
CCOC(=O)CCOC(=O)C=C
InChI
InChI=1S/C8H12O4/c1-3-7(9)12-6-5-8(10)11-4-2/h3H,1,4-6H2,2H3
InChIKey
CNNNZKXVTFMUKF-UHFFFAOYSA-N
Compound name
ethyl 3-prop-2-enoyloxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

172.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 135.7
[M+Na]+ 195.062778 142.6
[M-H]- 171.066284 135.9
[M+NH4]+ 190.107383 156.0
[M+K]+ 211.036718 142.9
[M+H-H2O]+ 155.070820 130.8
[M+HCOO]- 217.071761 158.5
[M+CH3COO]- 231.087411 178.8
[M+Na-2H]- 193.048226 139.4
[M]+ 172.07301142 140.1
[M]- 172.07410858 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe