CID 3042920

4-(morpholin-2-yl)benzene-1,2-diol

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

C1COC(CN1)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C10H13NO3/c12-8-2-1-7(5-9(8)13)10-6-11-3-4-14-10/h1-2,5,10-13H,3-4,6H2

InChIKey

GYJRRQRGZZEHEB-UHFFFAOYSA-N

Compound name

4-morpholin-2-ylbenzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 195.08954 Da
Monoisotopic Mass: 0.6
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]+	196.096816	142.0
[M+Na]+	218.078758	147.8
[M-H]-	194.082264	143.7
[M+NH4]+	213.123363	156.5
[M+K]+	234.052698	145.2
[M+H-H2O]+	178.086800	135.1
[M+HCOO]-	240.087741	157.3
[M+CH3COO]-	254.103391	174.7
[M+Na-2H]-	216.064206	147.2
[M]+	195.08899142	136.1
[M]-	195.09008858	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe