CID 13923

Guanoxyfen sulfate

Structural Information

Molecular Formula

C₁₀H₁₅N₃O

SMILES

C1=CC=C(C=C1)OCCCN=C(N)N

InChI

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

InChIKey

UEIBTMGAIXZRBV-UHFFFAOYSA-N

Compound name

2-(3-phenoxypropyl)guanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 377
Patents: 193.1215 Da
Monoisotopic Mass: 1.1
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	142.4
[M+Na]+	216.11072	147.3
[M-H]-	192.11422	146.0
[M+NH4]+	211.15532	160.9
[M+K]+	232.08466	145.6
[M+H-H2O]+	176.11876	135.0
[M+HCOO]-	238.11970	169.4
[M+CH3COO]-	252.13535	191.8
[M+Na-2H]-	214.09617	148.1
[M]+	193.12095	140.3
[M]-	193.12205	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe