CID 12812

Guanidine, (benzyloxy)-

Structural Information

Molecular Formula

C₈H₁₁N₃O

SMILES

C1=CC=C(C=C1)CON=C(N)N

InChI

InChI=1S/C8H11N3O/c9-8(10)11-12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,9,10,11)

InChIKey

WWHZKHHZRIJLEM-UHFFFAOYSA-N

Compound name

2-phenylmethoxyguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 90
Patents: 165.09021 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]+	166.09749	133.4
[M+Na]+	188.07943	139.1
[M-H]-	164.08293	137.3
[M+NH4]+	183.12403	152.9
[M+K]+	204.05337	137.9
[M+H-H2O]+	148.08747	126.4
[M+HCOO]-	210.08841	161.0
[M+CH3COO]-	224.10406	185.7
[M+Na-2H]-	186.06488	140.1
[M]+	165.08966	130.5
[M]-	165.09076	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe