CID 3057972

74332-82-4

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CC(C1=CC=CC=C1)N2CCCC2

InChI

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

InChIKey

UWBGXRMEQVITBS-UHFFFAOYSA-N

Compound name

1-(1-phenylethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
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]+	176.14338	140.6
[M+Na]+	198.12532	145.7
[M-H]-	174.12882	145.1
[M+NH4]+	193.16992	160.7
[M+K]+	214.09926	143.3
[M+H-H2O]+	158.13336	133.1
[M+HCOO]-	220.13430	161.3
[M+CH3COO]-	234.14995	180.2
[M+Na-2H]-	196.11077	143.9
[M]+	175.13555	136.7
[M]-	175.13665	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe