CID 249758

2-(naphthalen-1-yl)pyrrolidine

Structural Information

Molecular Formula

C₁₄H₁₅N

SMILES

C1CC(NC1)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C14H15N/c1-2-7-12-11(5-1)6-3-8-13(12)14-9-4-10-15-14/h1-3,5-8,14-15H,4,9-10H2

InChIKey

FEJHFYHZVJWOOE-UHFFFAOYSA-N

Compound name

2-naphthalen-1-ylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 197.12045 Da
Monoisotopic Mass: 3.1
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]+	198.12773	143.6
[M+Na]+	220.10967	150.1
[M-H]-	196.11317	148.0
[M+NH4]+	215.15427	163.4
[M+K]+	236.08361	144.9
[M+H-H2O]+	180.11771	136.3
[M+HCOO]-	242.11865	163.0
[M+CH3COO]-	256.13430	155.6
[M+Na-2H]-	218.09512	148.8
[M]+	197.11990	138.4
[M]-	197.12100	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe