CID 10242735

112914-13-3

Structural Information

Molecular Formula

C₁₂H₁₇FN₂O

SMILES

C1COC(CN1CC2=CC=C(C=C2)F)CN

InChI

InChI=1S/C12H17FN2O/c13-11-3-1-10(2-4-11)8-15-5-6-16-12(7-14)9-15/h1-4,12H,5-9,14H2

InChIKey

JHSPPBBJOLKJDH-UHFFFAOYSA-N

Compound name

[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 224.13249 Da
Monoisotopic Mass: 0.6
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]+	225.139766	151.3
[M+Na]+	247.121708	156.9
[M-H]-	223.125214	154.7
[M+NH4]+	242.166313	166.1
[M+K]+	263.095648	154.4
[M+H-H2O]+	207.129750	142.2
[M+HCOO]-	269.130691	169.3
[M+CH3COO]-	283.146341	190.8
[M+Na-2H]-	245.107156	155.4
[M]+	224.13194142	145.9
[M]-	224.13303858	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe