CID 178244151

2-hydroxy-n-propanoylethanimine oxide

Structural Information

Molecular Formula
C5H9NO3
SMILES
CCC(=O)[N+](=CCO)[O-]
InChI
InChI=1S/C5H9NO3/c1-2-5(8)6(9)3-4-7/h3,7H,2,4H2,1H3
InChIKey
DCTWPOIKVPPEGQ-UHFFFAOYSA-N
Compound name
2-hydroxy-N-propanoylethanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.05824 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 126.0
[M+Na]+ 154.047458 132.8
[M-H]- 130.050964 125.2
[M+NH4]+ 149.092063 146.7
[M+K]+ 170.021398 128.3
[M+H-H2O]+ 114.055500 126.5
[M+HCOO]- 176.056441 149.5
[M+CH3COO]- 190.072091 162.7
[M+Na-2H]- 152.032906 132.6
[M]+ 131.05769142 123.9
[M]- 131.05878858 123.9
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

No patent data available for this compound.