CID 6484139

369652-04-0

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCN

InChI

InChI=1S/C11H13N3/c12-7-6-10-8-13-14(9-10)11-4-2-1-3-5-11/h1-5,8-9H,6-7,12H2

InChIKey

XCVXHLSNYSXXEO-UHFFFAOYSA-N

Compound name

2-(1-phenylpyrazol-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 35
Patents: 187.11095 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]+	188.11823	141.2
[M+Na]+	210.10017	154.0
[M+NH4]+	205.14477	149.7
[M+K]+	226.07411	148.7
[M-H]-	186.10367	144.8
[M+Na-2H]-	208.08562	149.9
[M]+	187.11040	143.9
[M]-	187.11150	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe