CID 5301150

1-benzyl-5-methyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CC1=CC(=NN1CC2=CC=CC=C2)N

InChI

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

InChIKey

NCWKERQXFLLBNF-UHFFFAOYSA-N

Compound name

1-benzyl-5-methylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 187.11095 Da
Monoisotopic Mass: 1.9
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]+	188.11823	141.1
[M+Na]+	210.10017	154.3
[M+NH4]+	205.14477	149.6
[M+K]+	226.07411	149.2
[M-H]-	186.10367	144.8
[M+Na-2H]-	208.08562	149.6
[M]+	187.11040	143.9
[M]-	187.11150	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe