CID 10989469

69146-57-2

Structural Information

Molecular Formula

C₉H₁₅N₃

SMILES

C1=C(C=C(C=C1CN)CN)CN

InChI

InChI=1S/C9H15N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6,10-12H2

InChIKey

IDWDEHYPSCTKFU-UHFFFAOYSA-N

Compound name

[3,5-bis(aminomethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1021
Patents: 165.1266 Da
Monoisotopic Mass: -1.5
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]+	166.13388	135.9
[M+Na]+	188.11582	145.8
[M+NH4]+	183.16042	144.1
[M+K]+	204.08976	140.1
[M-H]-	164.11932	139.6
[M+Na-2H]-	186.10127	141.8
[M]+	165.12605	138.0
[M]-	165.12715	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe