CID 286

Aminooxyacetic acid

Structural Information

Molecular Formula
C2H5NO3
SMILES
C(C(=O)O)ON
InChI
InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)
InChIKey
NQRKYASMKDDGHT-UHFFFAOYSA-N
Compound name
2-aminooxyacetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1029
References

6084
Patents

91.02694 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.034216 113.2
[M+Na]+ 114.016158 120.8
[M-H]- 90.019664 112.2
[M+NH4]+ 109.060763 135.4
[M+K]+ 129.990098 121.4
[M+H-H2O]+ 74.024200 108.9
[M+HCOO]- 136.025141 137.1
[M+CH3COO]- 150.040791 162.4
[M+Na-2H]- 112.001606 119.7
[M]+ 91.02639142 112.2
[M]- 91.02748858 112.2
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