CID 101577

103-39-9

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CC(COC1=CC=CC=C1)NCCO

InChI

InChI=1S/C11H17NO2/c1-10(12-7-8-13)9-14-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3

InChIKey

RANHEEPQMBBPKB-UHFFFAOYSA-N

Compound name

2-(1-phenoxypropan-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 195.12593 Da
Monoisotopic Mass: 1.2
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]+	196.133206	144.5
[M+Na]+	218.115148	149.3
[M-H]-	194.118654	146.2
[M+NH4]+	213.159753	162.7
[M+K]+	234.089088	147.5
[M+H-H2O]+	178.123190	138.0
[M+HCOO]-	240.124131	167.3
[M+CH3COO]-	254.139781	184.5
[M+Na-2H]-	216.100596	150.1
[M]+	195.12538142	144.7
[M]-	195.12647858	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe