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

11
Patents

262.09537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.102646 154.1
[M+Na]+ 285.084588 163.5
[M-H]- 261.088094 157.4
[M+NH4]+ 280.129193 167.5
[M+K]+ 301.058528 160.4
[M+H-H2O]+ 245.092630 140.0
[M+HCOO]- 307.093571 170.6
[M+CH3COO]- 321.109221 203.0
[M+Na-2H]- 283.070036 156.7
[M]+ 262.09482142 150.7
[M]- 262.09591858 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