CID 64455293

[(1-benzyl-1h-pyrazol-5-yl)methyl](methyl)amine dihydrochloride

Structural Information

Molecular Formula

C₁₂H₁₅N₃

SMILES

CNCC1=CC=NN1CC2=CC=CC=C2

InChI

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

InChIKey

BNDWLEBUBYMZQH-UHFFFAOYSA-N

Compound name

1-(2-benzylpyrazol-3-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.1266 Da
Monoisotopic Mass: 1.2
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]+	202.133876	144.2
[M+Na]+	224.115818	151.7
[M-H]-	200.119324	148.2
[M+NH4]+	219.160423	162.1
[M+K]+	240.089758	148.1
[M+H-H2O]+	184.123860	135.5
[M+HCOO]-	246.124801	168.5
[M+CH3COO]-	260.140451	187.3
[M+Na-2H]-	222.101266	150.6
[M]+	201.12605142	144.1
[M]-	201.12714858	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe