CID 57021258

1-(1-phenylethyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CC(C1=CC=CC=C1)N2C=CC(=N2)N

InChI

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

InChIKey

ILDNOUIMSQWSKB-UHFFFAOYSA-N

Compound name

1-(1-phenylethyl)pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
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	141.2
[M+Na]+	210.10017	153.7
[M+NH4]+	205.14477	149.6
[M+K]+	226.07411	149.2
[M-H]-	186.10367	144.7
[M+Na-2H]-	208.08562	149.6
[M]+	187.11040	143.8
[M]-	187.11150	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe