CID 3014137

2-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenol hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CC(C)NCC(COC1=CC=CC=C1O)O

InChI

InChI=1S/C12H19NO3/c1-9(2)13-7-10(14)8-16-12-6-4-3-5-11(12)15/h3-6,9-10,13-15H,7-8H2,1-2H3

InChIKey

BBBJVUYZNPTHJG-UHFFFAOYSA-N

Compound name

2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 225.13649 Da
Monoisotopic Mass: 1.4
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]+	226.143766	152.6
[M+Na]+	248.125708	157.2
[M-H]-	224.129214	153.1
[M+NH4]+	243.170313	169.0
[M+K]+	264.099648	155.3
[M+H-H2O]+	208.133750	146.3
[M+HCOO]-	270.134691	172.8
[M+CH3COO]-	284.150341	189.2
[M+Na-2H]-	246.111156	155.2
[M]+	225.13594142	152.5
[M]-	225.13703858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe