CID 16776604

2-methyl-4-(pyrimidin-2-yloxy)aniline

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

CC1=C(C=CC(=C1)OC2=NC=CC=N2)N

InChI

InChI=1S/C11H11N3O/c1-8-7-9(3-4-10(8)12)15-11-13-5-2-6-14-11/h2-7H,12H2,1H3

InChIKey

XYXKJNQJZOFSQJ-UHFFFAOYSA-N

Compound name

2-methyl-4-pyrimidin-2-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 201.09021 Da
Monoisotopic Mass: 1.4
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]+	202.09749	143.1
[M+Na]+	224.07943	152.1
[M-H]-	200.08293	147.2
[M+NH4]+	219.12403	159.1
[M+K]+	240.05337	148.5
[M+H-H2O]+	184.08747	134.4
[M+HCOO]-	246.08841	166.5
[M+CH3COO]-	260.10406	186.9
[M+Na-2H]-	222.06488	150.9
[M]+	201.08966	142.6
[M]-	201.09076	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe