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]+ 208.096816 144.1
[M+Na]+ 230.078758 150.6
[M-H]- 206.082264 148.4
[M+NH4]+ 225.123363 159.4
[M+K]+ 246.052698 149.0
[M+H-H2O]+ 190.086800 136.6
[M+HCOO]- 252.087741 162.3
[M+CH3COO]- 266.103391 181.7
[M+Na-2H]- 228.064206 149.8
[M]+ 207.08899142 141.5
[M]- 207.09008858 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

literature stripe

Patent stripe

patents stripe