CID 39204777

848438-64-2

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

C1=CC(=CC=C1N)OCC2=NC=CN=C2

InChI

InChI=1S/C11H11N3O/c12-9-1-3-11(4-2-9)15-8-10-7-13-5-6-14-10/h1-7H,8,12H2

InChIKey

CXDYYUIVVLLYOE-UHFFFAOYSA-N

Compound name

4-(pyrazin-2-ylmethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 201.09021 Da
Monoisotopic Mass: 0.6
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	142.6
[M+Na]+	224.07943	150.6
[M-H]-	200.08293	146.2
[M+NH4]+	219.12403	158.2
[M+K]+	240.05337	147.0
[M+H-H2O]+	184.08747	133.6
[M+HCOO]-	246.08841	165.9
[M+CH3COO]-	260.10406	185.7
[M+Na-2H]-	222.06488	151.2
[M]+	201.08966	141.7
[M]-	201.09076	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe