CID 276384

56112-89-1

Structural Information

Molecular Formula

C₉H₁₂N₄

SMILES

C1CC2=C(N(N=C2C1)CCC#N)N

InChI

InChI=1S/C9H12N4/c10-5-2-6-13-9(11)7-3-1-4-8(7)12-13/h1-4,6,11H2

InChIKey

XGKBJTZXDKBXEU-UHFFFAOYSA-N

Compound name

3-(3-amino-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 176.1062 Da
Monoisotopic Mass: 0.2
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]+	177.11348	140.7
[M+Na]+	199.09542	149.9
[M+NH4]+	194.14002	145.3
[M+K]+	215.06936	144.4
[M-H]-	175.09892	134.1
[M+Na-2H]-	197.08087	141.7
[M]+	176.10565	139.0
[M]-	176.10675	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe