CID 21866310

1-(2-tetrahydropyranyl)-1h-pyrazole

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1CCOC(C1)N2C=CC=N2

InChI

InChI=1S/C8H12N2O/c1-2-7-11-8(4-1)10-6-3-5-9-10/h3,5-6,8H,1-2,4,7H2

InChIKey

IMZWSOSYNFVECD-UHFFFAOYSA-N

Compound name

1-(oxan-2-yl)pyrazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 480
Patents: 152.09496 Da
Monoisotopic Mass: 1.0
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]+	153.102236	130.7
[M+Na]+	175.084178	136.8
[M-H]-	151.087684	134.5
[M+NH4]+	170.128783	149.0
[M+K]+	191.058118	136.6
[M+H-H2O]+	135.092220	122.7
[M+HCOO]-	197.093161	150.2
[M+CH3COO]-	211.108811	143.5
[M+Na-2H]-	173.069626	136.9
[M]+	152.09441142	127.1
[M]-	152.09550858	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe