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
2
Annotation Hits

0
References

11
Patents

231.14706 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 155.5
[M+Na]+ 254.136278 160.1
[M-H]- 230.139784 156.5
[M+NH4]+ 249.180883 173.8
[M+K]+ 270.110218 161.6
[M+H-H2O]+ 214.144320 149.2
[M+HCOO]- 276.145261 178.6
[M+CH3COO]- 290.160911 197.1
[M+Na-2H]- 252.121726 157.0
[M]+ 231.14651142 162.1
[M]- 231.14760858 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