CID 3056080

Brn 0819869

Structural Information

Molecular Formula
C13H14N2O4
SMILES
C1C(OC(=O)N1C2=CC=C(C=C2)OCCC#N)CO
InChI
InChI=1S/C13H14N2O4/c14-6-1-7-18-11-4-2-10(3-5-11)15-8-12(9-16)19-13(15)17/h2-5,12,16H,1,7-9H2
InChIKey
VMMLORIHQJEELS-UHFFFAOYSA-N
Compound name
3-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

262.09537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 154.1
[M+Na]+ 285.08459 163.5
[M-H]- 261.08809 157.4
[M+NH4]+ 280.12919 167.5
[M+K]+ 301.05853 160.4
[M+H-H2O]+ 245.09263 140.0
[M+HCOO]- 307.09357 170.6
[M+CH3COO]- 321.10922 203.0
[M+Na-2H]- 283.07004 156.7
[M]+ 262.09482 150.7
[M]- 262.09592 150.7
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

patents stripe