CID 389876

Nsc686504

Structural Information

Molecular Formula
C12H18O5
SMILES
CCOC(=O)C(CC=C)(CC=O)C(=O)OCC
InChI
InChI=1S/C12H18O5/c1-4-7-12(8-9-13,10(14)16-5-2)11(15)17-6-3/h4,9H,1,5-8H2,2-3H3
InChIKey
UEMZWSAUWIPEOF-UHFFFAOYSA-N
Compound name
diethyl 2-(2-oxoethyl)-2-prop-2-enylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.11542 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.12270 154.2
[M+Na]+ 265.10464 160.1
[M-H]- 241.10814 154.0
[M+NH4]+ 260.14924 171.7
[M+K]+ 281.07858 159.7
[M+H-H2O]+ 225.11268 149.2
[M+HCOO]- 287.11362 174.6
[M+CH3COO]- 301.12927 192.2
[M+Na-2H]- 263.09009 156.9
[M]+ 242.11487 160.4
[M]- 242.11597 160.4
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.