CID 7164631

140836-69-7

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

C1COCCN1CCOC2=CC=C(C=C2)CN

InChI

InChI=1S/C13H20N2O2/c14-11-12-1-3-13(4-2-12)17-10-7-15-5-8-16-9-6-15/h1-4H,5-11,14H2

InChIKey

KMSJKJIIAVTIKY-UHFFFAOYSA-N

Compound name

[4-(2-morpholin-4-ylethoxy)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 195
Patents: 236.15248 Da
Monoisotopic Mass: 0.4
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]+	237.15976	155.2
[M+Na]+	259.14170	159.2
[M-H]-	235.14520	159.5
[M+NH4]+	254.18630	169.2
[M+K]+	275.11564	157.6
[M+H-H2O]+	219.14974	146.4
[M+HCOO]-	281.15068	174.2
[M+CH3COO]-	295.16633	192.1
[M+Na-2H]-	257.12715	160.3
[M]+	236.15193	152.3
[M]-	236.15303	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe