CID 15748

1815-29-8

Structural Information

Molecular Formula

C₁₃H₁₅FN₂

SMILES

CN1CCCC1C2=CNC3=C2C=C(C=C3)F

InChI

InChI=1S/C13H15FN2/c1-16-6-2-3-13(16)11-8-15-12-5-4-9(14)7-10(11)12/h4-5,7-8,13,15H,2-3,6H2,1H3

InChIKey

OBIXHSPVWCWIOW-UHFFFAOYSA-N

Compound name

5-fluoro-3-(1-methylpyrrolidin-2-yl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.12193 Da
Monoisotopic Mass: 2.5
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]+	219.12921	147.2
[M+Na]+	241.11115	157.0
[M-H]-	217.11465	150.4
[M+NH4]+	236.15575	167.4
[M+K]+	257.08509	151.8
[M+H-H2O]+	201.11919	139.3
[M+HCOO]-	263.12013	166.9
[M+CH3COO]-	277.13578	159.9
[M+Na-2H]-	239.09660	149.0
[M]+	218.12138	144.4
[M]-	218.12248	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe