CID 33788901

1000895-40-8

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

C1=CC=C(C=C1)CCC2=CC(=NN2)N

InChI

InChI=1S/C11H13N3/c12-11-8-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,12,13,14)

InChIKey

XRFRSAFQLGCWFY-UHFFFAOYSA-N

Compound name

5-(2-phenylethyl)-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 187.11095 Da
Monoisotopic Mass: 2.1
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	140.3
[M+Na]+	210.10017	147.9
[M-H]-	186.10367	142.7
[M+NH4]+	205.14477	157.8
[M+K]+	226.07411	143.3
[M+H-H2O]+	170.10821	132.1
[M+HCOO]-	232.10915	162.8
[M+CH3COO]-	246.12480	152.6
[M+Na-2H]-	208.08562	145.8
[M]+	187.11040	137.0
[M]-	187.11150	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe