CID 34179996

919286-65-0

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1[C@@H](OCC(=O)N1)CO
InChI
InChI=1S/C5H9NO3/c7-2-4-1-6-5(8)3-9-4/h4,7H,1-3H2,(H,6,8)/t4-/m1/s1
InChIKey
DMELBDGPDOJCTC-SCSAIBSYSA-N
Compound name
(6R)-6-(hydroxymethyl)morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

131.05824 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 125.0
[M+Na]+ 154.04746 131.3
[M-H]- 130.05096 124.8
[M+NH4]+ 149.09206 142.8
[M+K]+ 170.02140 131.0
[M+H-H2O]+ 114.05550 119.4
[M+HCOO]- 176.05644 142.1
[M+CH3COO]- 190.07209 164.1
[M+Na-2H]- 152.03291 131.6
[M]+ 131.05769 120.5
[M]- 131.05879 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