CID 3069943

Crl 40854

Structural Information

Molecular Formula

C₁₂H₁₈FNO

SMILES

CC(C)(C)NCC(C1=CC=C(C=C1)F)O

InChI

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

InChIKey

KZZYTSLQLJTJQT-UHFFFAOYSA-N

Compound name

2-(tert-butylamino)-1-(4-fluorophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 211.13724 Da
Monoisotopic Mass: 0.8
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	154.5
[M-H]-	210.12996	149.3
[M+NH4]+	229.17106	166.5
[M+K]+	250.10040	151.9
[M+H-H2O]+	194.13450	142.0
[M+HCOO]-	256.13544	168.1
[M+CH3COO]-	270.15109	189.0
[M+Na-2H]-	232.11191	152.9
[M]+	211.13669	146.2
[M]-	211.13779	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe