CID 42666

58178-41-9

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

CC1(CC(C(=O)O1)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C13H15NO3/c1-13(2)8-10(12(16)17-13)14-11(15)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,14,15)

InChIKey

YYYXENLJYDGFER-UHFFFAOYSA-N

Compound name

N-(5,5-dimethyl-2-oxooxolan-3-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 233.1052 Da
Monoisotopic Mass: 1.9
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]+	234.112476	150.6
[M+Na]+	256.094418	157.8
[M-H]-	232.097924	158.3
[M+NH4]+	251.139023	170.6
[M+K]+	272.068358	156.8
[M+H-H2O]+	216.102460	145.0
[M+HCOO]-	278.103401	173.5
[M+CH3COO]-	292.119051	191.0
[M+Na-2H]-	254.079866	154.9
[M]+	233.10465142	150.6
[M]-	233.10574858	150.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.