CID 6257

Mephenoxalone

Structural Information

Molecular Formula
C11H13NO4
SMILES
COC1=CC=CC=C1OCC2CNC(=O)O2
InChI
InChI=1S/C11H13NO4/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8/h2-5,8H,6-7H2,1H3,(H,12,13)
InChIKey
ZMNSRFNUONFLSP-UHFFFAOYSA-N
Compound name
5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

36
References

41925
Patents

223.08446 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 146.2
[M+Na]+ 246.07368 153.5
[M-H]- 222.07718 150.9
[M+NH4]+ 241.11828 162.8
[M+K]+ 262.04762 152.4
[M+H-H2O]+ 206.08172 139.2
[M+HCOO]- 268.08266 166.8
[M+CH3COO]- 282.09831 183.4
[M+Na-2H]- 244.05913 150.5
[M]+ 223.08391 147.3
[M]- 223.08501 147.3
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