CID 211839

23598-92-7

Structural Information

Molecular Formula
C14H15NO4
SMILES
COC1=CC=C(C=C1)N2CC(OC2=O)COCC#C
InChI
InChI=1S/C14H15NO4/c1-3-8-18-10-13-9-15(14(16)19-13)11-4-6-12(17-2)7-5-11/h1,4-7,13H,8-10H2,2H3
InChIKey
FGJSQIWLTMCNPH-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1001 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 157.0
[M+Na]+ 284.08932 168.4
[M+NH4]+ 279.13392 160.1
[M+K]+ 300.06326 161.5
[M-H]- 260.09282 151.6
[M+Na-2H]- 282.07477 158.6
[M]+ 261.09955 156.1
[M]- 261.10065 156.1
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.