CID 9942497

4-benzyl-2-hydroxymorpholin-3-one

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1COC(C(=O)N1CC2=CC=CC=C2)O
InChI
InChI=1S/C11H13NO3/c13-10-11(14)15-7-6-12(10)8-9-4-2-1-3-5-9/h1-5,11,14H,6-8H2
InChIKey
CAGSEMPCDRYWFN-UHFFFAOYSA-N
Compound name
4-benzyl-2-hydroxymorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

207.08954 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.1
[M+Na]+ 230.07876 150.6
[M-H]- 206.08226 148.4
[M+NH4]+ 225.12336 159.4
[M+K]+ 246.05270 149.0
[M+H-H2O]+ 190.08680 136.6
[M+HCOO]- 252.08774 162.3
[M+CH3COO]- 266.10339 181.7
[M+Na-2H]- 228.06421 149.8
[M]+ 207.08899 141.5
[M]- 207.09009 141.5
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

No patent data available for this compound.