CID 49607

Brn 2529860

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₂

SMILES

COC1=CC=C(C=C1)OCCN=C(N)N

InChI

InChI=1S/C10H15N3O2/c1-14-8-2-4-9(5-3-8)15-7-6-13-10(11)12/h2-5H,6-7H2,1H3,(H4,11,12,13)

InChIKey

JLNFXSAGSVOXOX-UHFFFAOYSA-N

Compound name

2-[2-(4-methoxyphenoxy)ethyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 209.11642 Da
Monoisotopic Mass: 0.3
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]+	210.12370	146.6
[M+Na]+	232.10564	155.5
[M+NH4]+	227.15024	153.5
[M+K]+	248.07958	150.5
[M-H]-	208.10914	149.3
[M+Na-2H]-	230.09109	152.0
[M]+	209.11587	148.2
[M]-	209.11697	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe