CID 99520

Propanedioic acid, 2-(1-ethoxyethylidene)-, 1,3-diethyl ester

Structural Information

Molecular Formula
C11H18O5
SMILES
CCOC(=C(C(=O)OCC)C(=O)OCC)C
InChI
InChI=1S/C11H18O5/c1-5-14-8(4)9(10(12)15-6-2)11(13)16-7-3/h5-7H2,1-4H3
InChIKey
TWYCKMOLLPVQMA-UHFFFAOYSA-N
Compound name
diethyl 2-(1-ethoxyethylidene)propanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

135
Patents

230.11542 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12270 152.3
[M+Na]+ 253.10464 157.6
[M-H]- 229.10814 152.2
[M+NH4]+ 248.14924 170.2
[M+K]+ 269.07858 158.7
[M+H-H2O]+ 213.11268 146.9
[M+HCOO]- 275.11362 172.5
[M+CH3COO]- 289.12927 190.9
[M+Na-2H]- 251.09009 152.1
[M]+ 230.11487 158.0
[M]- 230.11597 158.0
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