CID 3014137

2829-92-7

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

1
Annotation Hits: 0
References: 1
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]+	226.14377	152.3
[M+Na]+	248.12571	161.5
[M+NH4]+	243.17031	158.8
[M+K]+	264.09965	157.1
[M-H]-	224.12921	152.8
[M+Na-2H]-	246.11116	156.3
[M]+	225.13594	153.4
[M]-	225.13704	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe