CID 90029737

1533442-54-4

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1COCCC1C2=CC=NN2

InChI

InChI=1S/C8H12N2O/c1-4-9-10-8(1)7-2-5-11-6-3-7/h1,4,7H,2-3,5-6H2,(H,9,10)

InChIKey

JUOYWQIBQOXWAP-UHFFFAOYSA-N

Compound name

5-(oxan-4-yl)-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 152.09496 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]+	153.10224	131.3
[M+Na]+	175.08418	137.0
[M-H]-	151.08768	133.8
[M+NH4]+	170.12878	148.9
[M+K]+	191.05812	135.8
[M+H-H2O]+	135.09222	123.6
[M+HCOO]-	197.09316	149.3
[M+CH3COO]-	211.10881	143.5
[M+Na-2H]-	173.06963	137.1
[M]+	152.09441	125.9
[M]-	152.09551	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe