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

3
Annotation Hits: 403
References: 2620
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]+	178.133876	140.0
[M+Na]+	200.115818	145.9
[M-H]-	176.119324	144.0
[M+NH4]+	195.160423	159.5
[M+K]+	216.089758	143.8
[M+H-H2O]+	160.123860	133.1
[M+HCOO]-	222.124801	166.7
[M+CH3COO]-	236.140451	190.9
[M+Na-2H]-	198.101266	144.9
[M]+	177.12605142	136.8
[M]-	177.12714858	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe