CID 102699

2-amino-4-methoxy-4-oxobutanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

537
Patents

147.05316 Da
Monoisotopic Mass

-2.4
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

literature stripe

Patent stripe

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