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

145
Patents

230.11542 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.122696 152.3
[M+Na]+ 253.104638 157.6
[M-H]- 229.108144 152.2
[M+NH4]+ 248.149243 170.2
[M+K]+ 269.078578 158.7
[M+H-H2O]+ 213.112680 146.9
[M+HCOO]- 275.113621 172.5
[M+CH3COO]- 289.129271 190.9
[M+Na-2H]- 251.090086 152.1
[M]+ 230.11487142 158.0
[M]- 230.11596858 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