CID 16642754

927975-34-6

Structural Information

Molecular Formula

C₁₂H₁₇FN₂O

SMILES

C1COCCN1C(CN)C2=CC=CC=C2F

InChI

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

InChIKey

GOYHVBHGFOQIQB-UHFFFAOYSA-N

Compound name

2-(2-fluorophenyl)-2-morpholin-4-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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	151.4
[M+Na]+	247.121708	155.7
[M-H]-	223.125214	154.5
[M+NH4]+	242.166313	165.8
[M+K]+	263.095648	153.8
[M+H-H2O]+	207.129750	142.1
[M+HCOO]-	269.130691	168.4
[M+CH3COO]-	283.146341	190.5
[M+Na-2H]-	245.107156	155.1
[M]+	224.13194142	145.0
[M]-	224.13303858	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe