CID 47003016

2-(1-phenyl-1h-pyrazol-3-yl)ethan-1-amine

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

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

InChI

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

InChIKey

URRPTBKQFRZAHO-UHFFFAOYSA-N

Compound name

2-(1-phenylpyrazol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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]+	188.118226	140.0
[M+Na]+	210.100168	148.0
[M-H]-	186.103674	143.7
[M+NH4]+	205.144773	158.2
[M+K]+	226.074108	144.3
[M+H-H2O]+	170.108210	131.5
[M+HCOO]-	232.109151	164.0
[M+CH3COO]-	246.124801	152.9
[M+Na-2H]-	208.085616	145.9
[M]+	187.11040142	138.6
[M]-	187.11149858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe