CID 62141666

90887-04-0

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

C1=CC=C2C(=C1)C=NN2CCN

InChI

InChI=1S/C9H11N3/c10-5-6-12-9-4-2-1-3-8(9)7-11-12/h1-4,7H,5-6,10H2

InChIKey

XSFRZUDEUZCCRO-UHFFFAOYSA-N

Compound name

2-indazol-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 161.09529 Da
Monoisotopic Mass: 0.6
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]+	162.102566	131.3
[M+Na]+	184.084508	141.4
[M-H]-	160.088014	133.3
[M+NH4]+	179.129113	152.2
[M+K]+	200.058448	138.0
[M+H-H2O]+	144.092550	124.1
[M+HCOO]-	206.093491	156.0
[M+CH3COO]-	220.109141	145.4
[M+Na-2H]-	182.069956	140.0
[M]+	161.09474142	132.0
[M]-	161.09583858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe