CID 3025527

103852-78-4

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CC1CNCC(O1)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C11H15NO3/c1-7-5-12-6-11(15-7)8-2-3-9(13)10(14)4-8/h2-4,7,11-14H,5-6H2,1H3

InChIKey

HEISVMTVCWTFNN-UHFFFAOYSA-N

Compound name

4-(6-methylmorpholin-2-yl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	146.8
[M+Na]+	232.094418	153.2
[M-H]-	208.097924	148.8
[M+NH4]+	227.139023	161.1
[M+K]+	248.068358	150.4
[M+H-H2O]+	192.102460	140.0
[M+HCOO]-	254.103401	161.8
[M+CH3COO]-	268.119051	178.9
[M+Na-2H]-	230.079866	150.8
[M]+	209.10465142	141.7
[M]-	209.10574858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe