CID 46260

63991-28-6

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

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

InChI

InChI=1S/C11H17NO/c1-3-10(12-2)11(13)9-7-5-4-6-8-9/h4-8,10-13H,3H2,1-2H3

InChIKey

ROPFLNLFWBUBCT-UHFFFAOYSA-N

Compound name

2-(methylamino)-1-phenylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 179.13101 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]+	180.13829	142.1
[M+Na]+	202.12023	146.7
[M-H]-	178.12373	143.9
[M+NH4]+	197.16483	160.9
[M+K]+	218.09417	144.9
[M+H-H2O]+	162.12827	136.0
[M+HCOO]-	224.12921	163.7
[M+CH3COO]-	238.14486	183.3
[M+Na-2H]-	200.10568	146.4
[M]+	179.13046	140.2
[M]-	179.13156	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe