CID 3049201

Brn 1137936

Structural Information

Molecular Formula
C14H17NO4
SMILES
C=CCCOC1=CC=C(C=C1)N2CC(OC2=O)CO
InChI
InChI=1S/C14H17NO4/c1-2-3-8-18-12-6-4-11(5-7-12)15-9-13(10-16)19-14(15)17/h2,4-7,13,16H,1,3,8-10H2
InChIKey
IRYUPMWCPPTVCP-UHFFFAOYSA-N
Compound name
3-(4-but-3-enoxyphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11575 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 160.5
[M+Na]+ 286.10497 171.4
[M+NH4]+ 281.14957 166.5
[M+K]+ 302.07891 167.9
[M-H]- 262.10847 162.8
[M+Na-2H]- 284.09042 164.2
[M]+ 263.11520 162.4
[M]- 263.11630 162.4
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.