CID 427134

1,3-diethyl 2-(methylamino)propanedioate hydrochloride

Structural Information

Molecular Formula
C8H15NO4
SMILES
CCOC(=O)C(C(=O)OCC)NC
InChI
InChI=1S/C8H15NO4/c1-4-12-7(10)6(9-3)8(11)13-5-2/h6,9H,4-5H2,1-3H3
InChIKey
SLOUPZPBSMXCPG-UHFFFAOYSA-N
Compound name
diethyl 2-(methylamino)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

189.10011 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.107386 142.1
[M+Na]+ 212.089328 147.5
[M-H]- 188.092834 142.2
[M+NH4]+ 207.133933 161.3
[M+K]+ 228.063268 148.9
[M+H-H2O]+ 172.097370 136.5
[M+HCOO]- 234.098311 164.7
[M+CH3COO]- 248.113961 185.5
[M+Na-2H]- 210.074776 144.6
[M]+ 189.09956142 145.6
[M]- 189.10065858 145.6
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