CID 54271786

3-(2-aminoethoxy)-phenol

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

C1=CC(=CC(=C1)OCCN)O

InChI

InChI=1S/C8H11NO2/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6,10H,4-5,9H2

InChIKey

RKQYPSBLKLOZDB-UHFFFAOYSA-N

Compound name

3-(2-aminoethoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 153.07898 Da
Monoisotopic Mass: 0.7
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]+	154.08626	130.2
[M+Na]+	176.06820	137.7
[M-H]-	152.07170	132.3
[M+NH4]+	171.11280	150.3
[M+K]+	192.04214	135.7
[M+H-H2O]+	136.07624	124.6
[M+HCOO]-	198.07718	154.5
[M+CH3COO]-	212.09283	175.0
[M+Na-2H]-	174.05365	137.0
[M]+	153.07843	129.4
[M]-	153.07953	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe