CID 61562360

852443-64-2

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

C1CC1CC2=CC(=NN2)N

InChI

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

InChIKey

LPERNHZGUOJPEU-UHFFFAOYSA-N

Compound name

5-(cyclopropylmethyl)-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 137.09529 Da
Monoisotopic Mass: 1.3
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	129.3
[M+Na]+	160.08451	139.3
[M-H]-	136.08801	132.8
[M+NH4]+	155.12911	144.3
[M+K]+	176.05845	134.8
[M+H-H2O]+	120.09255	122.1
[M+HCOO]-	182.09349	152.1
[M+CH3COO]-	196.10914	142.2
[M+Na-2H]-	158.06996	134.7
[M]+	137.09474	128.3
[M]-	137.09584	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe