CID 13324830

92406-43-4

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CN1C(=CC(=N1)CC2=CC=CC=C2)N

InChI

InChI=1S/C11H13N3/c1-14-11(12)8-10(13-14)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3

InChIKey

KKRWLKJWIOPRTO-UHFFFAOYSA-N

Compound name

3-benzyl-1-methylpyrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.11095 Da
Monoisotopic Mass: 1.8
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]+	188.11823	140.3
[M+Na]+	210.10017	149.3
[M-H]-	186.10367	144.5
[M+NH4]+	205.14477	158.9
[M+K]+	226.07411	145.6
[M+H-H2O]+	170.10821	132.2
[M+HCOO]-	232.10915	164.4
[M+CH3COO]-	246.12480	153.7
[M+Na-2H]-	208.08562	145.5
[M]+	187.11040	139.3
[M]-	187.11150	139.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.