CID 124706

Ethyl 2-(2-aminoacetamido)acetate hydrochloride

Structural Information

Molecular Formula
C6H12N2O3
SMILES
CCOC(=O)CNC(=O)CN
InChI
InChI=1S/C6H12N2O3/c1-2-11-6(10)4-8-5(9)3-7/h2-4,7H2,1H3,(H,8,9)
InChIKey
LFAVEINQLWIXRA-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-aminoacetyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

317
Patents

160.0848 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09208 134.3
[M+Na]+ 183.07402 139.9
[M-H]- 159.07752 134.1
[M+NH4]+ 178.11862 154.1
[M+K]+ 199.04796 140.4
[M+H-H2O]+ 143.08206 128.6
[M+HCOO]- 205.08300 158.6
[M+CH3COO]- 219.09865 180.9
[M+Na-2H]- 181.05947 138.1
[M]+ 160.08425 134.3
[M]- 160.08535 134.3
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