CID 3579815

1h-indole-3-carboximidamide hydrochloride

Structural Information

Molecular Formula

C₉H₉N₃

SMILES

C1=CC=C2C(=C1)C(=CN2)C(=N)N

InChI

InChI=1S/C9H9N3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,12H,(H3,10,11)

InChIKey

JJURUVSVHQHERL-UHFFFAOYSA-N

Compound name

1H-indole-3-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 159.07965 Da
Monoisotopic Mass: 1.4
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]+	160.08693	131.1
[M+Na]+	182.06887	142.3
[M+NH4]+	177.11347	139.6
[M+K]+	198.04281	138.4
[M-H]-	158.07237	133.4
[M+Na-2H]-	180.05432	137.5
[M]+	159.07910	133.0
[M]-	159.08020	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe