CID 10844435

1-cyclopentyl-1h-pyrazole

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

C1CCC(C1)N2C=CC=N2

InChI

InChI=1S/C8H12N2/c1-2-5-8(4-1)10-7-3-6-9-10/h3,6-8H,1-2,4-5H2

InChIKey

JZSAQAFZTUPWAR-UHFFFAOYSA-N

Compound name

1-cyclopentylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 144
Patents: 136.10005 Da
Monoisotopic Mass: 1.4
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]+	137.107326	128.4
[M+Na]+	159.089268	135.3
[M-H]-	135.092774	132.1
[M+NH4]+	154.133873	150.5
[M+K]+	175.063208	134.1
[M+H-H2O]+	119.097310	120.7
[M+HCOO]-	181.098251	150.8
[M+CH3COO]-	195.113901	142.0
[M+Na-2H]-	157.074716	132.3
[M]+	136.09950142	125.1
[M]-	136.10059858	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe