CID 76029

Dtxsid40981006

Structural Information

Molecular Formula
C3H7NO3
SMILES
CC(C(=O)O)ON
InChI
InChI=1S/C3H7NO3/c1-2(7-4)3(5)6/h2H,4H2,1H3,(H,5,6)
InChIKey
AHIBSEICBQMMDB-UHFFFAOYSA-N
Compound name
2-aminooxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

202
Patents

105.042595 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.049871 118.4
[M+Na]+ 128.031813 125.3
[M-H]- 104.035319 117.3
[M+NH4]+ 123.076418 140.0
[M+K]+ 144.005753 126.2
[M+H-H2O]+ 88.039855 113.9
[M+HCOO]- 150.040796 140.9
[M+CH3COO]- 164.056446 166.4
[M+Na-2H]- 126.017261 123.0
[M]+ 105.04204642 117.0
[M]- 105.04314358 117.0
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

patents stripe