CID 22961260

2-amino-2-methyl-3-phenoxypropan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CC(CO)(COC1=CC=CC=C1)N

InChI

InChI=1S/C10H15NO2/c1-10(11,7-12)8-13-9-5-3-2-4-6-9/h2-6,12H,7-8,11H2,1H3

InChIKey

QDVNHPYUFZYZKI-UHFFFAOYSA-N

Compound name

2-amino-2-methyl-3-phenoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.11028 Da
Monoisotopic Mass: 0.5
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]+	182.11756	140.0
[M+Na]+	204.09950	146.1
[M-H]-	180.10300	141.6
[M+NH4]+	199.14410	158.7
[M+K]+	220.07344	144.0
[M+H-H2O]+	164.10754	134.4
[M+HCOO]-	226.10848	162.0
[M+CH3COO]-	240.12413	180.3
[M+Na-2H]-	202.08495	147.1
[M]+	181.10973	139.0
[M]-	181.11083	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe