CID 43313666

905439-34-1

Structural Information

Molecular Formula

C₁₁H₁₅FN₂O

SMILES

C1COCCN1C2=C(C=C(C=C2)F)CN

InChI

InChI=1S/C11H15FN2O/c12-10-1-2-11(9(7-10)8-13)14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2

InChIKey

YSBDQTCQXJCFMT-UHFFFAOYSA-N

Compound name

(5-fluoro-2-morpholin-4-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 210.11684 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]+	211.12412	146.7
[M+Na]+	233.10606	152.7
[M-H]-	209.10956	150.4
[M+NH4]+	228.15066	162.1
[M+K]+	249.08000	150.5
[M+H-H2O]+	193.11410	137.8
[M+HCOO]-	255.11504	165.1
[M+CH3COO]-	269.13069	187.8
[M+Na-2H]-	231.09151	151.4
[M]+	210.11629	141.0
[M]-	210.11739	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe