CID 1433

180001-34-7

Structural Information

Molecular Formula

C₁₀H₁₅N₃

SMILES

CC(=NCC1=CC=CC(=C1)CN)N

InChI

InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)

InChIKey

RODUKNYOEVZQPR-UHFFFAOYSA-N

Compound name

N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 403
References: 725
Patents: 177.1266 Da
Monoisotopic Mass: -0.2
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]+	178.13388	140.5
[M+Na]+	200.11582	150.4
[M+NH4]+	195.16042	148.7
[M+K]+	216.08976	144.4
[M-H]-	176.11932	144.3
[M+Na-2H]-	198.10127	146.9
[M]+	177.12605	142.7
[M]-	177.12715	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe