CID 45792667

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

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

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

InChI

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

InChIKey

PWFOXFPTRSSNOU-UHFFFAOYSA-N

Compound name

2-phenyl-2-pyrazol-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 187.11095 Da
Monoisotopic Mass: 0.9
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	141.4
[M+Na]+	210.10017	153.5
[M+NH4]+	205.14477	149.7
[M+K]+	226.07411	148.8
[M-H]-	186.10367	144.7
[M+Na-2H]-	208.08562	150.0
[M]+	187.11040	143.9
[M]-	187.11150	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe