CID 165916660

1-[4-(azetidin-3-yl)phenyl]methanamine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1C(CN1)C2=CC=C(C=C2)CN

InChI

InChI=1S/C10H14N2/c11-5-8-1-3-9(4-2-8)10-6-12-7-10/h1-4,10,12H,5-7,11H2

InChIKey

CRTVODIMGFGMAD-UHFFFAOYSA-N

Compound name

[4-(azetidin-3-yl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 162.11569 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]+	163.122966	134.9
[M+Na]+	185.104908	140.1
[M-H]-	161.108414	138.1
[M+NH4]+	180.149513	146.7
[M+K]+	201.078848	139.7
[M+H-H2O]+	145.112950	122.6
[M+HCOO]-	207.113891	155.0
[M+CH3COO]-	221.129541	181.2
[M+Na-2H]-	183.090356	140.4
[M]+	162.11514142	138.4
[M]-	162.11623858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe