CID 3392643

150433-24-2

Structural Information

Molecular Formula

C₁₀H₈N₂

SMILES

C1C2=CC=CC=C2C3=C1C=NN3

InChI

InChI=1S/C10H8N2/c1-2-4-9-7(3-1)5-8-6-11-12-10(8)9/h1-4,6H,5H2,(H,11,12)

InChIKey

DGYDIEIMGSEYDK-UHFFFAOYSA-N

Compound name

1,4-dihydroindeno[2,1-d]pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 112
Patents: 156.06874 Da
Monoisotopic Mass: 1.9
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]+	157.076016	130.6
[M+Na]+	179.057958	140.9
[M-H]-	155.061464	132.7
[M+NH4]+	174.102563	154.0
[M+K]+	195.031898	136.7
[M+H-H2O]+	139.066000	124.3
[M+HCOO]-	201.066941	152.2
[M+CH3COO]-	215.082591	144.6
[M+Na-2H]-	177.043406	137.6
[M]+	156.06819142	129.7
[M]-	156.06928858	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe