CID 105547452

2-amino-3-(4-bromophenyl)-2-methylpropan-1-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄BrNO

SMILES

CC(CC1=CC=C(C=C1)Br)(CO)N

InChI

InChI=1S/C10H14BrNO/c1-10(12,7-13)6-8-2-4-9(11)5-3-8/h2-5,13H,6-7,12H2,1H3

InChIKey

WMYIXIRNYLRYKD-UHFFFAOYSA-N

Compound name

2-amino-3-(4-bromophenyl)-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.02588 Da
Monoisotopic Mass: 1.5
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]+	244.033156	149.0
[M+Na]+	266.015098	158.9
[M-H]-	242.018604	153.3
[M+NH4]+	261.059703	169.0
[M+K]+	281.989038	146.9
[M+H-H2O]+	226.023140	148.8
[M+HCOO]-	288.024081	168.1
[M+CH3COO]-	302.039731	189.5
[M+Na-2H]-	264.000546	155.8
[M]+	243.02533142	165.4
[M]-	243.02642858	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.