CID 3049194

64589-74-8

Structural Information

Molecular Formula
C12H12N2O4
SMILES
C1C(OC(=O)N1C2=CC=C(C=C2)OCC#N)CO
InChI
InChI=1S/C12H12N2O4/c13-5-6-17-10-3-1-9(2-4-10)14-7-11(8-15)18-12(14)16/h1-4,11,15H,6-8H2
InChIKey
UJSQDDANKNEAJJ-UHFFFAOYSA-N
Compound name
2-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

248.07971 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08699 154.7
[M+Na]+ 271.06893 165.2
[M+NH4]+ 266.11353 157.6
[M+K]+ 287.04287 159.0
[M-H]- 247.07243 149.5
[M+Na-2H]- 269.05438 156.3
[M]+ 248.07916 153.6
[M]- 248.08026 153.6
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

patents stripe