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]+ 246.16998 160.3
[M+Na]+ 268.15192 164.3
[M-H]- 244.15542 161.2
[M+NH4]+ 263.19652 178.0
[M+K]+ 284.12586 166.1
[M+H-H2O]+ 228.15996 153.9
[M+HCOO]- 290.16090 182.1
[M+CH3COO]- 304.17655 201.0
[M+Na-2H]- 266.13737 160.0
[M]+ 245.16215 166.6
[M]- 245.16325 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