CID 22176774

3-cyclobutyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

C1CC(C1)C2=CC(=NN2)N

InChI

InChI=1S/C7H11N3/c8-7-4-6(9-10-7)5-2-1-3-5/h4-5H,1-3H2,(H3,8,9,10)

InChIKey

DELFRVWPWUEOHU-UHFFFAOYSA-N

Compound name

5-cyclobutyl-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 186
Patents: 137.09529 Da
Monoisotopic Mass: 1.0
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	126.9
[M+Na]+	160.08451	132.9
[M-H]-	136.08801	129.1
[M+NH4]+	155.12911	140.0
[M+K]+	176.05845	133.3
[M+H-H2O]+	120.09255	114.5
[M+HCOO]-	182.09349	147.3
[M+CH3COO]-	196.10914	175.2
[M+Na-2H]-	158.06996	131.4
[M]+	137.09474	130.4
[M]-	137.09584	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe