CID 81272

Diethyl aminomalonate hydrochloride

Structural Information

Molecular Formula
C7H13NO4
SMILES
CCOC(=O)C(C(=O)OCC)N
InChI
InChI=1S/C7H13NO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4,8H2,1-2H3
InChIKey
WLTCKEHCTUYJGI-UHFFFAOYSA-N
Compound name
diethyl 2-aminopropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1534
Patents

175.08446 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 138.0
[M+Na]+ 198.07368 143.8
[M-H]- 174.07718 137.7
[M+NH4]+ 193.11828 157.5
[M+K]+ 214.04762 145.1
[M+H-H2O]+ 158.08172 132.6
[M+HCOO]- 220.08266 160.2
[M+CH3COO]- 234.09831 181.8
[M+Na-2H]- 196.05913 139.9
[M]+ 175.08391 140.0
[M]- 175.08501 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe