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

784
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 129.2
[M+Na]+ 170.04238 135.3
[M-H]- 146.04588 127.8
[M+NH4]+ 165.08698 148.9
[M+K]+ 186.01632 136.2
[M+H-H2O]+ 130.05042 124.3
[M+HCOO]- 192.05136 150.5
[M+CH3COO]- 206.06701 174.0
[M+Na-2H]- 168.02783 131.5
[M]+ 147.05261 128.6
[M]- 147.05371 128.6
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