CID 96672

25163-62-6

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₄

SMILES

C1COCCN1CC2=C(C(=C(C=C2)CN3CCOCC3)O)O

InChI

InChI=1S/C16H24N2O4/c19-15-13(11-17-3-7-21-8-4-17)1-2-14(16(15)20)12-18-5-9-22-10-6-18/h1-2,19-20H,3-12H2

InChIKey

GXFKEXJQUZXFOS-UHFFFAOYSA-N

Compound name

3,6-bis(morpholin-4-ylmethyl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 4
Patents: 308.1736 Da
Monoisotopic Mass: 0.1
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]+	309.18088	175.4
[M+Na]+	331.16282	178.1
[M-H]-	307.16632	179.4
[M+NH4]+	326.20742	182.5
[M+K]+	347.13676	176.3
[M+H-H2O]+	291.17086	165.0
[M+HCOO]-	353.17180	184.9
[M+CH3COO]-	367.18745	183.0
[M+Na-2H]-	329.14827	176.8
[M]+	308.17305	169.4
[M]-	308.17415	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe