CID 274177

H-dl-asp-ome

Structural Information

Molecular Formula
C5H9NO4
SMILES
COC(=O)C(CC(=O)O)N
InChI
InChI=1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)
InChIKey
SWWBMHIMADRNIK-UHFFFAOYSA-N
Compound name
3-amino-4-methoxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

427
Patents

147.05316 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06044 129.7
[M+Na]+ 170.04238 136.4
[M+NH4]+ 165.08698 134.9
[M+K]+ 186.01632 135.1
[M-H]- 146.04588 126.5
[M+Na-2H]- 168.02783 130.4
[M]+ 147.05261 129.0
[M]- 147.05371 129.0
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

patents stripe