CID 39448

(2-(p-tolyloxy)ethyl)guanidine

Structural Information

Molecular Formula

C₁₀H₁₅N₃O

SMILES

CC1=CC=C(C=C1)OCCN=C(N)N

InChI

InChI=1S/C10H15N3O/c1-8-2-4-9(5-3-8)14-7-6-13-10(11)12/h2-5H,6-7H2,1H3,(H4,11,12,13)

InChIKey

ZYYNYTIHLRPCFQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 193.1215 Da
Monoisotopic Mass: 0.7
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	143.6
[M+Na]+	216.11072	153.0
[M+NH4]+	211.15532	151.1
[M+K]+	232.08466	147.5
[M-H]-	192.11422	146.9
[M+Na-2H]-	214.09617	149.5
[M]+	193.12095	145.5
[M]-	193.12205	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe