CID 92453

56563-25-8

Structural Information

Molecular Formula
C14H24O6
SMILES
CCOC=C(C(=O)C(C)(OCC)OCC)C(=O)OCC
InChI
InChI=1S/C14H24O6/c1-6-17-10-11(13(16)18-7-2)12(15)14(5,19-8-3)20-9-4/h10H,6-9H2,1-5H3
InChIKey
RDUACTOLQQHQBU-UHFFFAOYSA-N
Compound name
ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1573 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.164576 167.3
[M+Na]+ 311.146518 171.8
[M-H]- 287.150024 166.7
[M+NH4]+ 306.191123 182.9
[M+K]+ 327.120458 172.6
[M+H-H2O]+ 271.154560 161.7
[M+HCOO]- 333.155501 186.1
[M+CH3COO]- 347.171151 202.0
[M+Na-2H]- 309.131966 167.9
[M]+ 288.15675142 175.8
[M]- 288.15784858 175.8
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.