CID 57617

100054-41-9

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC(C(C)(C1=CC=CC=C1)O)NC

InChI

InChI=1S/C11H17NO/c1-9(12-3)11(2,13)10-7-5-4-6-8-10/h4-9,12-13H,1-3H3

InChIKey

SIBUOXVRODUTKZ-UHFFFAOYSA-N

Compound name

3-(methylamino)-2-phenylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.13101 Da
Monoisotopic Mass: 1.3
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]+	180.13829	141.5
[M+Na]+	202.12023	152.2
[M+NH4]+	197.16483	149.7
[M+K]+	218.09417	146.9
[M-H]-	178.12373	143.3
[M+Na-2H]-	200.10568	148.0
[M]+	179.13046	143.5
[M]-	179.13156	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.