CID 53818772

N-[2-(benzyloxy)ethyl]guanidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₅N₃O

SMILES

C1=CC=C(C=C1)COCCN=C(N)N

InChI

InChI=1S/C10H15N3O/c11-10(12)13-6-7-14-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H4,11,12,13)

InChIKey

FUGMGIMPYDSMBY-UHFFFAOYSA-N

Compound name

2-(2-phenylmethoxyethyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 193.1215 Da
Monoisotopic Mass: 0.0
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]+	194.12878	143.7
[M+Na]+	216.11072	152.7
[M+NH4]+	211.15532	151.2
[M+K]+	232.08466	147.0
[M-H]-	192.11422	146.9
[M+Na-2H]-	214.09617	149.9
[M]+	193.12095	145.5
[M]-	193.12205	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe