CID 14435009

126571-48-0

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CC(=O)C1=C2CCCCN2N=C1

InChI

InChI=1S/C9H12N2O/c1-7(12)8-6-10-11-5-3-2-4-9(8)11/h6H,2-5H2,1H3

InChIKey

PMTKHIBVGPJZPL-UHFFFAOYSA-N

Compound name

1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 164.09496 Da
Monoisotopic Mass: 0.6
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]+	165.10224	135.0
[M+Na]+	187.08418	142.6
[M-H]-	163.08768	136.5
[M+NH4]+	182.12878	155.7
[M+K]+	203.05812	140.7
[M+H-H2O]+	147.09222	128.0
[M+HCOO]-	209.09316	154.1
[M+CH3COO]-	223.10881	177.9
[M+Na-2H]-	185.06963	139.7
[M]+	164.09441	133.0
[M]-	164.09551	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe