CID 68793761

2-(chloromethyl)-4h,5h,6h,7h-pyrazolo[1,5-a]pyridine

Structural Information

Molecular Formula

C₈H₁₁ClN₂

SMILES

C1CCN2C(=CC(=N2)CCl)C1

InChI

InChI=1S/C8H11ClN2/c9-6-7-5-8-3-1-2-4-11(8)10-7/h5H,1-4,6H2

InChIKey

QWNDXWFLUYJIMF-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.06108 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]+	171.068356	135.0
[M+Na]+	193.050298	143.8
[M-H]-	169.053804	136.0
[M+NH4]+	188.094903	156.3
[M+K]+	209.024238	139.9
[M+H-H2O]+	153.058340	128.2
[M+HCOO]-	215.059281	150.2
[M+CH3COO]-	229.074931	147.9
[M+Na-2H]-	191.035746	140.7
[M]+	170.06053142	134.2
[M]-	170.06162858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe