CID 12845

(2-phenoxyethoxy)guanidine

Structural Information

Molecular Formula

C₉H₁₃N₃O₂

SMILES

C1=CC=C(C=C1)OCCON=C(N)N

InChI

InChI=1S/C9H13N3O2/c10-9(11)12-14-7-6-13-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,10,11,12)

InChIKey

KOZRFROHEABTDK-UHFFFAOYSA-N

Compound name

2-(2-phenoxyethoxy)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.10077 Da
Monoisotopic Mass: 0.8
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]+	196.10805	140.5
[M+Na]+	218.08999	145.6
[M-H]-	194.09349	144.2
[M+NH4]+	213.13459	158.7
[M+K]+	234.06393	144.8
[M+H-H2O]+	178.09803	133.0
[M+HCOO]-	240.09897	168.0
[M+CH3COO]-	254.11462	190.9
[M+Na-2H]-	216.07544	146.8
[M]+	195.10022	139.4
[M]-	195.10132	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe