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

68
Patents

189.10011 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10739 142.1
[M+Na]+ 212.08933 147.5
[M-H]- 188.09283 142.2
[M+NH4]+ 207.13393 161.3
[M+K]+ 228.06327 148.9
[M+H-H2O]+ 172.09737 136.5
[M+HCOO]- 234.09831 164.7
[M+CH3COO]- 248.11396 185.5
[M+Na-2H]- 210.07478 144.6
[M]+ 189.09956 145.6
[M]- 189.10066 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