CID 32020

23598-69-8

Structural Information

Molecular Formula
C15H15NO4
SMILES
CC(=O)C1=CC=C(C=C1)N2CC(OC2=O)COCC#C
InChI
InChI=1S/C15H15NO4/c1-3-8-19-10-14-9-16(15(18)20-14)13-6-4-12(5-7-13)11(2)17/h1,4-7,14H,8-10H2,2H3
InChIKey
DZHVZKBRRQRCBJ-UHFFFAOYSA-N
Compound name
3-(4-acetylphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1001 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10738 158.4
[M+Na]+ 296.08932 168.1
[M-H]- 272.09282 161.7
[M+NH4]+ 291.13392 171.6
[M+K]+ 312.06326 164.2
[M+H-H2O]+ 256.09736 144.7
[M+HCOO]- 318.09830 172.8
[M+CH3COO]- 332.11395 203.9
[M+Na-2H]- 294.07477 158.5
[M]+ 273.09955 155.2
[M]- 273.10065 155.2
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.