CID 103338219

2248172-23-6

Structural Information

Molecular Formula
C4H9NO3
SMILES
C[C@H](C(=O)OC)ON
InChI
InChI=1S/C4H9NO3/c1-3(8-5)4(6)7-2/h3H,5H2,1-2H3/t3-/m1/s1
InChIKey
FAXADWCNHRCTLA-GSVOUGTGSA-N
Compound name
methyl (2R)-2-aminooxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

119.05824 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 122.4
[M+Na]+ 142.047458 129.5
[M-H]- 118.050964 122.6
[M+NH4]+ 137.092063 144.3
[M+K]+ 158.021398 131.1
[M+H-H2O]+ 102.055500 117.7
[M+HCOO]- 164.056441 146.2
[M+CH3COO]- 178.072091 171.3
[M+Na-2H]- 140.032906 127.1
[M]+ 119.05769142 123.4
[M]- 119.05878858 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe