CID 13399

1h-indazol-3-amine

Structural Information

Molecular Formula

C₇H₇N₃

SMILES

C1=CC=C2C(=C1)C(=NN2)N

InChI

InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10)

InChIKey

YDTDKKULPWTHRV-UHFFFAOYSA-N

Compound name

1H-indazol-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 33
References: 4420
Patents: 133.064 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]+	134.071276	122.5
[M+Na]+	156.053218	133.0
[M-H]-	132.056724	123.5
[M+NH4]+	151.097823	143.7
[M+K]+	172.027158	129.2
[M+H-H2O]+	116.061260	116.0
[M+HCOO]-	178.062201	146.3
[M+CH3COO]-	192.077851	136.7
[M+Na-2H]-	154.038666	131.8
[M]+	133.06345142	120.6
[M]-	133.06454858	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe