CID 57357361

113502-52-6

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1=O

InChI

InChI=1S/C14H11NO2/c16-13-8-9-15-11(13)6-7-12(15)14(17)10-4-2-1-3-5-10/h1-7H,8-9H2

InChIKey

NFKBMHXYCKRXPQ-UHFFFAOYSA-N

Compound name

5-benzoyl-2,3-dihydropyrrolizin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 225.07898 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]+	226.086256	149.5
[M+Na]+	248.068198	158.2
[M-H]-	224.071704	156.4
[M+NH4]+	243.112803	170.7
[M+K]+	264.042138	154.6
[M+H-H2O]+	208.076240	142.9
[M+HCOO]-	270.077181	172.4
[M+CH3COO]-	284.092831	163.0
[M+Na-2H]-	246.053646	151.5
[M]+	225.07843142	149.7
[M]-	225.07952858	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe