CID 13664127

Ethyl 4-[(3-ethoxy-3-oxopropyl)(methyl)amino]butanoate

Structural Information

Molecular Formula
C12H23NO4
SMILES
CCOC(=O)CCCN(C)CCC(=O)OCC
InChI
InChI=1S/C12H23NO4/c1-4-16-11(14)7-6-9-13(3)10-8-12(15)17-5-2/h4-10H2,1-3H3
InChIKey
SNBBJBGQWHTTSI-UHFFFAOYSA-N
Compound name
ethyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

245.1627 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 160.1
[M+Na]+ 268.15192 164.4
[M-H]- 244.15542 161.0
[M+NH4]+ 263.19652 177.9
[M+K]+ 284.12586 165.6
[M+H-H2O]+ 228.15996 153.6
[M+HCOO]- 290.16090 182.9
[M+CH3COO]- 304.17655 200.1
[M+Na-2H]- 266.13737 161.1
[M]+ 245.16215 167.1
[M]- 245.16325 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe