CID 517966

Methyl 2-acetamidoacetate

Structural Information

Molecular Formula
C5H9NO3
SMILES
CC(=O)NCC(=O)OC
InChI
InChI=1S/C5H9NO3/c1-4(7)6-3-5(8)9-2/h3H2,1-2H3,(H,6,7)
InChIKey
RFNODQARGNZURK-UHFFFAOYSA-N
Compound name
methyl 2-acetamidoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

366
Patents

131.05824 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 125.3
[M+Na]+ 154.047458 132.3
[M-H]- 130.050964 125.9
[M+NH4]+ 149.092063 147.0
[M+K]+ 170.021398 133.4
[M+H-H2O]+ 114.055500 120.4
[M+HCOO]- 176.056441 149.6
[M+CH3COO]- 190.072091 173.4
[M+Na-2H]- 152.032906 130.6
[M]+ 131.05769142 126.8
[M]- 131.05878858 126.8
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