CID 96673

3-(morpholinomethyl)pyrocatechol

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

C1COCCN1CC2=C(C(=CC=C2)O)O

InChI

InChI=1S/C11H15NO3/c13-10-3-1-2-9(11(10)14)8-12-4-6-15-7-5-12/h1-3,13-14H,4-8H2

InChIKey

OSPAZNDZKGXZPQ-UHFFFAOYSA-N

Compound name

3-(morpholin-4-ylmethyl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 209.1052 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]+	210.112476	145.9
[M+Na]+	232.094418	151.7
[M-H]-	208.097924	148.8
[M+NH4]+	227.139023	160.5
[M+K]+	248.068358	149.8
[M+H-H2O]+	192.102460	138.6
[M+HCOO]-	254.103401	162.4
[M+CH3COO]-	268.119051	180.1
[M+Na-2H]-	230.079866	151.1
[M]+	209.10465142	142.2
[M]-	209.10574858	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe