CID 12211776

4,5,6,7-tetrahydro-2h-indazol-3-amine

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

C1CCC2=C(C1)C(=NN2)N

InChI

InChI=1S/C7H11N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H3,8,9,10)

InChIKey

ZWSFFBUZTDBGKQ-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-1H-indazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 137.09529 Da
Monoisotopic Mass: 1.1
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]+	138.10257	127.3
[M+Na]+	160.08451	134.7
[M-H]-	136.08801	127.1
[M+NH4]+	155.12911	148.0
[M+K]+	176.05845	131.6
[M+H-H2O]+	120.09255	120.6
[M+HCOO]-	182.09349	146.7
[M+CH3COO]-	196.10914	139.8
[M+Na-2H]-	158.06996	133.4
[M]+	137.09474	121.1
[M]-	137.09584	121.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe