CID 11321015

71510-95-7

Structural Information

Molecular Formula
C6H11NO3
SMILES
CCOC(=O)CC(=O)NC
InChI
InChI=1S/C6H11NO3/c1-3-10-6(9)4-5(8)7-2/h3-4H2,1-2H3,(H,7,8)
InChIKey
VWTRXRCWWIJCCQ-UHFFFAOYSA-N
Compound name
ethyl 3-(methylamino)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

145.0739 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 129.9
[M+Na]+ 168.063118 136.5
[M-H]- 144.066624 130.4
[M+NH4]+ 163.107723 151.1
[M+K]+ 184.037058 137.4
[M+H-H2O]+ 128.071160 124.9
[M+HCOO]- 190.072101 153.9
[M+CH3COO]- 204.087751 176.4
[M+Na-2H]- 166.048566 134.7
[M]+ 145.07335142 131.9
[M]- 145.07444858 131.9
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