CID 11404

63991-37-7

Structural Information

Molecular Formula

C₁₂H₁₈FNO

SMILES

CCCCNCC(C1=CC(=CC=C1)F)O

InChI

InChI=1S/C12H18FNO/c1-2-3-7-14-9-12(15)10-5-4-6-11(13)8-10/h4-6,8,12,14-15H,2-3,7,9H2,1H3

InChIKey

VYSHHZZXEWZRRN-UHFFFAOYSA-N

Compound name

2-(butylamino)-1-(3-fluorophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 211.13724 Da
Monoisotopic Mass: 1.4
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]+	212.14452	148.4
[M+Na]+	234.12646	153.9
[M-H]-	210.12996	148.9
[M+NH4]+	229.17106	166.2
[M+K]+	250.10040	150.8
[M+H-H2O]+	194.13450	141.2
[M+HCOO]-	256.13544	169.6
[M+CH3COO]-	270.15109	189.3
[M+Na-2H]-	232.11191	152.1
[M]+	211.13669	146.7
[M]-	211.13779	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe