CID 16781696

{3-[(2-methyl-1h-imidazol-1-yl)methyl]phenyl}methanamine

Structural Information

Molecular Formula

C₁₂H₁₅N₃

SMILES

CC1=NC=CN1CC2=CC=CC(=C2)CN

InChI

InChI=1S/C12H15N3/c1-10-14-5-6-15(10)9-12-4-2-3-11(7-12)8-13/h2-7H,8-9,13H2,1H3

InChIKey

DVUPGUAHJJFIPS-UHFFFAOYSA-N

Compound name

[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.1266 Da
Monoisotopic Mass: 0.9
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]+	202.133876	144.9
[M+Na]+	224.115818	153.4
[M-H]-	200.119324	148.9
[M+NH4]+	219.160423	162.9
[M+K]+	240.089758	149.4
[M+H-H2O]+	184.123860	136.5
[M+HCOO]-	246.124801	168.6
[M+CH3COO]-	260.140451	187.7
[M+Na-2H]-	222.101266	149.5
[M]+	201.12605142	144.2
[M]-	201.12714858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.