CID 209045

Alpha-pyrrolidinopropiophenone

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

CC(C(=O)C1=CC=CC=C1)N2CCCC2

InChI

InChI=1S/C13H17NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3

InChIKey

KPUJAQRFIJAORQ-UHFFFAOYSA-N

Compound name

1-phenyl-2-pyrrolidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 69
Patents: 203.13101 Da
Monoisotopic Mass: 2.6
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]+	204.13829	147.8
[M+Na]+	226.12023	152.3
[M-H]-	202.12373	152.3
[M+NH4]+	221.16483	166.5
[M+K]+	242.09417	150.1
[M+H-H2O]+	186.12827	140.1
[M+HCOO]-	248.12921	167.5
[M+CH3COO]-	262.14486	185.2
[M+Na-2H]-	224.10568	149.3
[M]+	203.13046	144.4
[M]-	203.13156	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe