CID 13347133

Ethyl 4-amino-4-oxobutanoate

Structural Information

Molecular Formula
C6H11NO3
SMILES
CCOC(=O)CCC(=O)N
InChI
InChI=1S/C6H11NO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H2,7,8)
InChIKey
AJZOXCVIKHPZEU-UHFFFAOYSA-N
Compound name
ethyl 4-amino-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

132
Patents

145.0739 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.08118 130.3
[M+Na]+ 168.06312 136.8
[M-H]- 144.06662 130.1
[M+NH4]+ 163.10772 151.0
[M+K]+ 184.03706 137.2
[M+H-H2O]+ 128.07116 125.2
[M+HCOO]- 190.07210 153.6
[M+CH3COO]- 204.08775 176.5
[M+Na-2H]- 166.04857 133.9
[M]+ 145.07335 131.2
[M]- 145.07445 131.2
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