CID 43115675

3-(2-methylcyclopropyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CC1CC1C2=CC(=NN2)N

InChI

InChI=1S/C7H11N3/c1-4-2-5(4)6-3-7(8)10-9-6/h3-5H,2H2,1H3,(H3,8,9,10)

InChIKey

PNHOYOOOPIXCBT-UHFFFAOYSA-N

Compound name

5-(2-methylcyclopropyl)-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 137.09529 Da
Monoisotopic Mass: 0.9
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	129.7
[M+Na]+	160.08451	140.5
[M-H]-	136.08801	133.5
[M+NH4]+	155.12911	145.0
[M+K]+	176.05845	135.9
[M+H-H2O]+	120.09255	122.7
[M+HCOO]-	182.09349	152.4
[M+CH3COO]-	196.10914	176.7
[M+Na-2H]-	158.06996	134.3
[M]+	137.09474	129.0
[M]-	137.09584	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe