CID 43662243

Benzyl(1h-pyrazol-3-ylmethyl)amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

C1=CC=C(C=C1)CNCC2=CC=NN2

InChI

InChI=1S/C11H13N3/c1-2-4-10(5-3-1)8-12-9-11-6-7-13-14-11/h1-7,12H,8-9H2,(H,13,14)

InChIKey

CEBUOOAEYWDXFN-UHFFFAOYSA-N

Compound name

1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 187.11095 Da
Monoisotopic Mass: 1.1
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	141.7
[M+Na]+	210.10017	153.9
[M+NH4]+	205.14477	149.9
[M+K]+	226.07411	148.4
[M-H]-	186.10367	144.8
[M+Na-2H]-	208.08562	150.4
[M]+	187.11040	144.1
[M]-	187.11150	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe