CID 43140097

2413900-50-0

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CC(C1=CN(N=C1)C2=CC=CC=C2)N

InChI

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

InChIKey

IOAUCNVBBMEIQG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
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	140.7
[M+Na]+	210.10017	148.4
[M-H]-	186.10367	144.6
[M+NH4]+	205.14477	158.9
[M+K]+	226.07411	145.2
[M+H-H2O]+	170.10821	132.4
[M+HCOO]-	232.10915	163.7
[M+CH3COO]-	246.12480	153.5
[M+Na-2H]-	208.08562	145.4
[M]+	187.11040	138.7
[M]-	187.11150	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe