CID 65585144

1498514-60-5

Structural Information

Molecular Formula
C13H17NO4
SMILES
CC1(CNC(=O)O1)CC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C13H17NO4/c1-13(8-14-12(15)18-13)7-9-4-5-10(16-2)11(6-9)17-3/h4-6H,7-8H2,1-3H3,(H,14,15)
InChIKey
LFXYBGLDSWDJNE-UHFFFAOYSA-N
Compound name
5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11575 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.123026 153.9
[M+Na]+ 274.104968 162.2
[M-H]- 250.108474 159.0
[M+NH4]+ 269.149573 171.7
[M+K]+ 290.078908 161.0
[M+H-H2O]+ 234.113010 147.7
[M+HCOO]- 296.113951 173.9
[M+CH3COO]- 310.129601 190.1
[M+Na-2H]- 272.090416 157.8
[M]+ 251.11520142 156.5
[M]- 251.11629858 156.5
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.