CID 11959109

3-(1h-indazol-1-yl)propan-1-amine

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

C1=CC=C2C(=C1)C=NN2CCCN

InChI

InChI=1S/C10H13N3/c11-6-3-7-13-10-5-2-1-4-9(10)8-12-13/h1-2,4-5,8H,3,6-7,11H2

InChIKey

QGWLKJMMXIXRQU-UHFFFAOYSA-N

Compound name

3-indazol-1-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 175.11095 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]+	176.118226	136.0
[M+Na]+	198.100168	145.6
[M-H]-	174.103674	137.8
[M+NH4]+	193.144773	156.2
[M+K]+	214.074108	141.9
[M+H-H2O]+	158.108210	128.5
[M+HCOO]-	220.109151	160.2
[M+CH3COO]-	234.124801	149.6
[M+Na-2H]-	196.085616	144.1
[M]+	175.11040142	137.0
[M]-	175.11149858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe