CID 22176827

264209-16-7

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

C1CCC(C1)C2=CC(=NN2)N

InChI

InChI=1S/C8H13N3/c9-8-5-7(10-11-8)6-3-1-2-4-6/h5-6H,1-4H2,(H3,9,10,11)

InChIKey

PXEDPQCHOFQXCW-UHFFFAOYSA-N

Compound name

5-cyclopentyl-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 148
Patents: 151.11095 Da
Monoisotopic Mass: 1.5
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]+	152.11823	132.0
[M+Na]+	174.10017	138.6
[M-H]-	150.10367	134.3
[M+NH4]+	169.14477	152.6
[M+K]+	190.07411	135.9
[M+H-H2O]+	134.10821	124.5
[M+HCOO]-	196.10915	153.4
[M+CH3COO]-	210.12480	144.5
[M+Na-2H]-	172.08562	134.5
[M]+	151.11040	125.6
[M]-	151.11150	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe