CID 5067771

2-(hydroxyamino)butanoic acid

Structural Information

Molecular Formula
C4H9NO3
SMILES
CCC(C(=O)O)NO
InChI
InChI=1S/C4H9NO3/c1-2-3(5-8)4(6)7/h3,5,8H,2H2,1H3,(H,6,7)
InChIKey
HECDBQWSOGTQMT-UHFFFAOYSA-N
Compound name
2-(hydroxyamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

119.05824 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06552 123.1
[M+Na]+ 142.04746 130.5
[M+NH4]+ 137.09206 129.3
[M+K]+ 158.02140 128.2
[M-H]- 118.05096 120.6
[M+Na-2H]- 140.03291 124.9
[M]+ 119.05769 122.9
[M]- 119.05879 122.9
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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