CID 4408455

Diethyl (3-dimethylaminopropyl)-malonate

Structural Information

Molecular Formula
C12H23NO4
SMILES
CCOC(=O)C(CCCN(C)C)C(=O)OCC
InChI
InChI=1S/C12H23NO4/c1-5-16-11(14)10(12(15)17-6-2)8-7-9-13(3)4/h10H,5-9H2,1-4H3
InChIKey
HPJWCZSMLHGECP-UHFFFAOYSA-N
Compound name
diethyl 2-[3-(dimethylamino)propyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

245.1627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.169976 160.3
[M+Na]+ 268.151918 164.3
[M-H]- 244.155424 161.2
[M+NH4]+ 263.196523 178.0
[M+K]+ 284.125858 166.1
[M+H-H2O]+ 228.159960 153.9
[M+HCOO]- 290.160901 182.1
[M+CH3COO]- 304.176551 201.0
[M+Na-2H]- 266.137366 160.0
[M]+ 245.16215142 166.7
[M]- 245.16324858 166.7
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