CID 693807

174561-11-6

Structural Information

Molecular Formula

C₁₃H₁₉FN₂O

SMILES

C1CN(CCN1CCO)CC2=CC=C(C=C2)F

InChI

InChI=1S/C13H19FN2O/c14-13-3-1-12(2-4-13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2

InChIKey

KCZHNDKCJQKXCG-UHFFFAOYSA-N

Compound name

2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 28
Patents: 238.14815 Da
Monoisotopic Mass: 1.0
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]+	239.15543	155.8
[M+Na]+	261.13737	161.2
[M-H]-	237.14087	156.1
[M+NH4]+	256.18197	169.8
[M+K]+	277.11131	157.0
[M+H-H2O]+	221.14541	146.1
[M+HCOO]-	283.14635	171.1
[M+CH3COO]-	297.16200	189.7
[M+Na-2H]-	259.12282	158.8
[M]+	238.14760	150.5
[M]-	238.14870	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe