CID 24689362

1016495-59-2

Structural Information

Molecular Formula

C₁₁H₁₄FNO

SMILES

C1CC(OC1)C(C2=CC=C(C=C2)F)N

InChI

InChI=1S/C11H14FNO/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h3-6,10-11H,1-2,7,13H2

InChIKey

JMAZFLXMFDYVDN-UHFFFAOYSA-N

Compound name

(4-fluorophenyl)-(oxolan-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 195.10594 Da
Monoisotopic Mass: 1.3
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]+	196.113216	142.1
[M+Na]+	218.095158	147.7
[M-H]-	194.098664	147.3
[M+NH4]+	213.139763	161.0
[M+K]+	234.069098	146.2
[M+H-H2O]+	178.103200	134.8
[M+HCOO]-	240.104141	163.0
[M+CH3COO]-	254.119791	184.4
[M+Na-2H]-	216.080606	144.9
[M]+	195.10539142	137.0
[M]-	195.10648858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe