CID 3018176

Ethyl 3-(formylamino)-3-oxopropionate

Structural Information

Molecular Formula
C6H9NO4
SMILES
CCOC(=O)CC(=O)NC=O
InChI
InChI=1S/C6H9NO4/c1-2-11-6(10)3-5(9)7-4-8/h4H,2-3H2,1H3,(H,7,8,9)
InChIKey
HAWZIBYXLZLPNW-UHFFFAOYSA-N
Compound name
ethyl 3-formamido-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.05316 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.060436 130.8
[M+Na]+ 182.042378 137.6
[M-H]- 158.045884 131.3
[M+NH4]+ 177.086983 151.2
[M+K]+ 198.016318 138.4
[M+H-H2O]+ 142.050420 125.6
[M+HCOO]- 204.051361 155.3
[M+CH3COO]- 218.067011 177.6
[M+Na-2H]- 180.027826 135.7
[M]+ 159.05261142 133.5
[M]- 159.05370858 133.5
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

No patent data available for this compound.