CID 54091145

1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,2-diol

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1COC(=N1)C(CO)O
InChI
InChI=1S/C5H9NO3/c7-3-4(8)5-6-1-2-9-5/h4,7-8H,1-3H2
InChIKey
VFLNBXZAHYYWJL-UHFFFAOYSA-N
Compound name
1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

131.05824 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 124.8
[M+Na]+ 154.047458 131.5
[M-H]- 130.050964 124.8
[M+NH4]+ 149.092063 144.2
[M+K]+ 170.021398 132.0
[M+H-H2O]+ 114.055500 119.2
[M+HCOO]- 176.056441 144.3
[M+CH3COO]- 190.072091 163.9
[M+Na-2H]- 152.032906 130.4
[M]+ 131.05769142 123.4
[M]- 131.05878858 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