CID 853683

28791-87-9

Structural Information

Molecular Formula

C₁₁H₁₄N₄

SMILES

C1CCC(C1)(N2C=CC=N2)N3C=CC=N3

InChI

InChI=1S/C11H14N4/c1-2-6-11(5-1,14-9-3-7-12-14)15-10-4-8-13-15/h3-4,7-10H,1-2,5-6H2

InChIKey

USFLKKPBLJPJRJ-UHFFFAOYSA-N

Compound name

1-(1-pyrazol-1-ylcyclopentyl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 202.12184 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]+	203.12912	141.0
[M+Na]+	225.11106	149.7
[M-H]-	201.11456	146.5
[M+NH4]+	220.15566	161.2
[M+K]+	241.08500	147.6
[M+H-H2O]+	185.11910	131.1
[M+HCOO]-	247.12004	163.6
[M+CH3COO]-	261.13569	154.1
[M+Na-2H]-	223.09651	144.2
[M]+	202.12129	140.1
[M]-	202.12239	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe