CID 360400

Chembl268881

Structural Information

Molecular Formula

C₁₃H₁₉NO₃

SMILES

CC(C)N1CCOC(C1)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C13H19NO3/c1-9(2)14-5-6-17-13(8-14)10-3-4-11(15)12(16)7-10/h3-4,7,9,13,15-16H,5-6,8H2,1-2H3

InChIKey

SUYJAACXNVNFGP-UHFFFAOYSA-N

Compound name

4-(4-propan-2-ylmorpholin-2-yl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 237.13649 Da
Monoisotopic Mass: 1.9
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]+	238.14377	155.3
[M+Na]+	260.12571	160.9
[M-H]-	236.12921	158.3
[M+NH4]+	255.17031	169.0
[M+K]+	276.09965	159.1
[M+H-H2O]+	220.13375	147.9
[M+HCOO]-	282.13469	170.1
[M+CH3COO]-	296.15034	188.3
[M+Na-2H]-	258.11116	157.4
[M]+	237.13594	152.1
[M]-	237.13704	152.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.