CID 3064026

101932-29-0

Structural Information

Molecular Formula
C13H17NO4
SMILES
CCCC1=CC(=C(C=C1)OC2CNC(=O)O2)OC
InChI
InChI=1S/C13H17NO4/c1-3-4-9-5-6-10(11(7-9)16-2)17-12-8-14-13(15)18-12/h5-7,12H,3-4,8H2,1-2H3,(H,14,15)
InChIKey
BMVILBMBVZXVQB-UHFFFAOYSA-N
Compound name
5-(2-methoxy-4-propylphenoxy)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11575 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.123026 155.4
[M+Na]+ 274.104968 162.7
[M-H]- 250.108474 160.1
[M+NH4]+ 269.149573 171.1
[M+K]+ 290.078908 161.2
[M+H-H2O]+ 234.113010 148.3
[M+HCOO]- 296.113951 175.3
[M+CH3COO]- 310.129601 190.6
[M+Na-2H]- 272.090416 157.9
[M]+ 251.11520142 157.6
[M]- 251.11629858 157.6
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.