CID 4362338

2-(3-fluorophenyl)-4-methylpyrrolidine

Structural Information

Molecular Formula

C₁₁H₁₄FN

SMILES

CC1CC(NC1)C2=CC(=CC=C2)F

InChI

InChI=1S/C11H14FN/c1-8-5-11(13-7-8)9-3-2-4-10(12)6-9/h2-4,6,8,11,13H,5,7H2,1H3

InChIKey

RIMKUHAYBHYAHQ-UHFFFAOYSA-N

Compound name

2-(3-fluorophenyl)-4-methylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 179.11102 Da
Monoisotopic Mass: 2.4
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]+	180.11830	141.1
[M+Na]+	202.10024	152.7
[M+NH4]+	197.14484	149.8
[M+K]+	218.07418	147.3
[M-H]-	178.10374	143.1
[M+Na-2H]-	200.08569	147.4
[M]+	179.11047	143.1
[M]-	179.11157	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe