CID 5744063

Refchem:459624

Structural Information

Molecular Formula
C4H9NO3
SMILES
CC(C)(C(=O)O)ON
InChI
InChI=1S/C4H9NO3/c1-4(2,8-5)3(6)7/h5H2,1-2H3,(H,6,7)
InChIKey
LYSXGALUCNQSQO-UHFFFAOYSA-N
Compound name
2-aminooxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

119.05824 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 122.2
[M+Na]+ 142.047458 129.4
[M-H]- 118.050964 121.1
[M+NH4]+ 137.092063 143.4
[M+K]+ 158.021398 129.9
[M+H-H2O]+ 102.055500 118.2
[M+HCOO]- 164.056441 143.9
[M+CH3COO]- 178.072091 168.8
[M+Na-2H]- 140.032906 128.4
[M]+ 119.05769142 121.4
[M]- 119.05878858 121.4
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