CID 228362

N,n-di-(beta-carboethoxyethyl)methylamine

Structural Information

Molecular Formula
C11H21NO4
SMILES
CCOC(=O)CCN(C)CCC(=O)OCC
InChI
InChI=1S/C11H21NO4/c1-4-15-10(13)6-8-12(3)9-7-11(14)16-5-2/h4-9H2,1-3H3
InChIKey
OXZUPKSEIKZASL-UHFFFAOYSA-N
Compound name
ethyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

231.14706 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 155.5
[M+Na]+ 254.13628 160.1
[M-H]- 230.13978 156.5
[M+NH4]+ 249.18088 173.8
[M+K]+ 270.11022 161.6
[M+H-H2O]+ 214.14432 149.2
[M+HCOO]- 276.14526 178.6
[M+CH3COO]- 290.16091 197.1
[M+Na-2H]- 252.12173 157.0
[M]+ 231.14651 162.1
[M]- 231.14761 162.1
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