CID 49868

67465-34-3

Structural Information

Molecular Formula
C15H21NO4
SMILES
CCOC(=O)C(CCN)(C1=CC=CC=C1)C(=O)OCC
InChI
InChI=1S/C15H21NO4/c1-3-19-13(17)15(10-11-16,14(18)20-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11,16H2,1-2H3
InChIKey
KRUVXMHIDVFHNF-UHFFFAOYSA-N
Compound name
diethyl 2-(2-aminoethyl)-2-phenylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

279.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.154336 166.6
[M+Na]+ 302.136278 171.0
[M-H]- 278.139784 169.0
[M+NH4]+ 297.180883 181.8
[M+K]+ 318.110218 169.7
[M+H-H2O]+ 262.144320 159.7
[M+HCOO]- 324.145261 187.4
[M+CH3COO]- 338.160911 200.8
[M+Na-2H]- 300.121726 169.3
[M]+ 279.14651142 169.4
[M]- 279.14760858 169.4
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

No patent data available for this compound.