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

2
Annotation Hits: 10
References: 61
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	148.2
[M+Na]+	226.12023	159.2
[M+NH4]+	221.16483	156.8
[M+K]+	242.09417	154.6
[M-H]-	202.12373	151.1
[M+Na-2H]-	224.10568	154.8
[M]+	203.13046	150.4
[M]-	203.13156	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe