CID 53415366

1h-indazole-3,6-diamine

Structural Information

Molecular Formula

C₇H₈N₄

SMILES

C1=CC2=C(C=C1N)NN=C2N

InChI

InChI=1S/C7H8N4/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,8H2,(H3,9,10,11)

InChIKey

FANSCRRHEDYXIH-UHFFFAOYSA-N

Compound name

1H-indazole-3,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 148.07489 Da
Monoisotopic Mass: 0.5
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]+	149.082166	126.2
[M+Na]+	171.064108	136.9
[M-H]-	147.067614	127.2
[M+NH4]+	166.108713	146.5
[M+K]+	187.038048	132.6
[M+H-H2O]+	131.072150	119.6
[M+HCOO]-	193.073091	150.4
[M+CH3COO]-	207.088741	140.0
[M+Na-2H]-	169.049556	134.3
[M]+	148.07434142	123.2
[M]-	148.07543858	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe