CID 115727

64047-04-7

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

CCCCCC1(C(=O)NC(=O)O1)C2=CC=CC=C2

InChI

InChI=1S/C14H17NO3/c1-2-3-7-10-14(11-8-5-4-6-9-11)12(16)15-13(17)18-14/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,16,17)

InChIKey

SVRUAQSFFVAKQJ-UHFFFAOYSA-N

Compound name

5-pentyl-5-phenyl-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 247.12085 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.128126	155.2
[M+Na]+	270.110068	162.6
[M-H]-	246.113574	159.8
[M+NH4]+	265.154673	172.9
[M+K]+	286.084008	159.9
[M+H-H2O]+	230.118110	148.7
[M+HCOO]-	292.119051	174.9
[M+CH3COO]-	306.134701	189.0
[M+Na-2H]-	268.095516	159.1
[M]+	247.12030142	155.5
[M]-	247.12139858	155.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.