CID 3077936

Brn 4752769

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

CCCOC1CCC(=O)N1C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17NO3/c1-2-10-18-13-9-8-12(16)15(13)14(17)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3

InChIKey

ZGIUFNYQCVGSLL-UHFFFAOYSA-N

Compound name

1-benzoyl-5-propoxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 247.12085 Da
Monoisotopic Mass: 2.1
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]+	248.12813	156.3
[M+Na]+	270.11007	162.7
[M-H]-	246.11357	161.3
[M+NH4]+	265.15467	173.8
[M+K]+	286.08401	160.3
[M+H-H2O]+	230.11811	148.7
[M+HCOO]-	292.11905	177.3
[M+CH3COO]-	306.13470	192.1
[M+Na-2H]-	268.09552	157.3
[M]+	247.12030	156.7
[M]-	247.12140	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe