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 150.2
[M+Na]+ 271.06893 160.0
[M-H]- 247.07243 153.7
[M+NH4]+ 266.11353 164.0
[M+K]+ 287.04287 157.1
[M+H-H2O]+ 231.07697 136.2
[M+HCOO]- 293.07791 167.0
[M+CH3COO]- 307.09356 200.3
[M+Na-2H]- 269.05438 153.2
[M]+ 248.07916 146.5
[M]- 248.08026 146.5
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

patents stripe