CID 57357558

154476-25-2

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1O

InChI

InChI=1S/C14H13NO2/c16-13-8-9-15-11(13)6-7-12(15)14(17)10-4-2-1-3-5-10/h1-7,13,16H,8-9H2

InChIKey

PPQHNULBCSHICE-UHFFFAOYSA-N

Compound name

(7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 227.09464 Da
Monoisotopic Mass: 1.6
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]+	228.10192	150.7
[M+Na]+	250.08386	162.4
[M+NH4]+	245.12846	159.3
[M+K]+	266.05780	159.8
[M-H]-	226.08736	153.3
[M+Na-2H]-	248.06931	156.4
[M]+	227.09409	152.9
[M]-	227.09519	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe