CID 49870

Diethyl 2-aminoethyl-(3,4-xylyl)malonate hydrochloride

Structural Information

Molecular Formula
C17H25NO4
SMILES
CCOC(=O)C(CCN)(C1=CC(=C(C=C1)C)C)C(=O)OCC
InChI
InChI=1S/C17H25NO4/c1-5-21-15(19)17(9-10-18,16(20)22-6-2)14-8-7-12(3)13(4)11-14/h7-8,11H,5-6,9-10,18H2,1-4H3
InChIKey
WJFXJFLNWVDCPW-UHFFFAOYSA-N
Compound name
diethyl 2-(2-aminoethyl)-2-(3,4-dimethylphenyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.17834 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18562 174.1
[M+Na]+ 330.16756 182.8
[M+NH4]+ 325.21216 179.0
[M+K]+ 346.14150 178.8
[M-H]- 306.17106 173.8
[M+Na-2H]- 328.15301 176.8
[M]+ 307.17779 174.9
[M]- 307.17889 174.9
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.