CID 211834

23598-59-6

Structural Information

Molecular Formula
C13H13NO4
SMILES
C#CCOCC1CN(C(=O)O1)C2=CC=C(C=C2)O
InChI
InChI=1S/C13H13NO4/c1-2-7-17-9-12-8-14(13(16)18-12)10-3-5-11(15)6-4-10/h1,3-6,12,15H,7-9H2
InChIKey
IQQBACKUBFUZMK-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08446 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09174 150.8
[M+Na]+ 270.07368 160.9
[M-H]- 246.07718 153.2
[M+NH4]+ 265.11828 164.6
[M+K]+ 286.04762 156.9
[M+H-H2O]+ 230.08172 137.5
[M+HCOO]- 292.08266 165.2
[M+CH3COO]- 306.09831 196.3
[M+Na-2H]- 268.05913 152.7
[M]+ 247.08391 146.6
[M]- 247.08501 146.6
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

No patent data available for this compound.