CID 86335551

1389384-57-9

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1[C@@H](NC(=O)CO1)CO
InChI
InChI=1S/C5H9NO3/c7-1-4-2-9-3-5(8)6-4/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1
InChIKey
FOJNXDWRHDVNIW-BYPYZUCNSA-N
Compound name
(5S)-5-(hydroxymethyl)morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

131.05824 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 125.0
[M+Na]+ 154.047458 131.3
[M-H]- 130.050964 124.8
[M+NH4]+ 149.092063 142.8
[M+K]+ 170.021398 131.0
[M+H-H2O]+ 114.055500 119.4
[M+HCOO]- 176.056441 142.1
[M+CH3COO]- 190.072091 164.1
[M+Na-2H]- 152.032906 131.6
[M]+ 131.05769142 120.5
[M]- 131.05878858 120.5
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