CID 54354282

1334492-35-1

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CC(C1CCCN1)C2=CC=CC=C2

InChI

InChI=1S/C12H17N/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11/h2-4,6-7,10,12-13H,5,8-9H2,1H3

InChIKey

CGEFMKSWZUCNDG-UHFFFAOYSA-N

Compound name

2-(1-phenylethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 175.1361 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]+	176.143376	141.1
[M+Na]+	198.125318	145.8
[M-H]-	174.128824	144.2
[M+NH4]+	193.169923	160.5
[M+K]+	214.099258	142.5
[M+H-H2O]+	158.133360	133.9
[M+HCOO]-	220.134301	160.3
[M+CH3COO]-	234.149951	177.5
[M+Na-2H]-	196.110766	143.9
[M]+	175.13555142	135.4
[M]-	175.13664858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe