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 158.9
[M+Na]+ 286.10497 166.1
[M-H]- 262.10847 163.5
[M+NH4]+ 281.14957 174.0
[M+K]+ 302.07891 163.7
[M+H-H2O]+ 246.11301 151.7
[M+HCOO]- 308.11395 178.7
[M+CH3COO]- 322.12960 192.9
[M+Na-2H]- 284.09042 160.9
[M]+ 263.11520 160.7
[M]- 263.11630 160.7
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.