CID 87305489

Ethyl 2-[(dimethylamino)methylidene]-4,4-diethoxy-3-oxobutanoate

Structural Information

Molecular Formula
C13H23NO5
SMILES
CCOC(C(=O)/C(=C/N(C)C)/C(=O)OCC)OCC
InChI
InChI=1S/C13H23NO5/c1-6-17-12(16)10(9-14(4)5)11(15)13(18-7-2)19-8-3/h9,13H,6-8H2,1-5H3/b10-9-
InChIKey
SZFFCEBBQIJXEV-KTKRTIGZSA-N
Compound name
ethyl (2Z)-2-(dimethylaminomethylidene)-4,4-diethoxy-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

273.15762 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.164896 165.5
[M+Na]+ 296.146838 169.1
[M-H]- 272.150344 166.3
[M+NH4]+ 291.191443 181.8
[M+K]+ 312.120778 171.1
[M+H-H2O]+ 256.154880 159.0
[M+HCOO]- 318.155821 186.4
[M+CH3COO]- 332.171471 206.0
[M+Na-2H]- 294.132286 163.7
[M]+ 273.15707142 172.4
[M]- 273.15816858 172.4
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

patents stripe