CID 66524323

1187582-58-6

Structural Information

Molecular Formula

C₈H₁₁BrN₂O

SMILES

C1CCOC(C1)N2C(=CC=N2)Br

InChI

InChI=1S/C8H11BrN2O/c9-7-4-5-10-11(7)8-3-1-2-6-12-8/h4-5,8H,1-3,6H2

InChIKey

CVHYIERLKZMAPH-UHFFFAOYSA-N

Compound name

5-bromo-1-(oxan-2-yl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 230.00548 Da
Monoisotopic Mass: 2.0
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]+	231.01276	146.9
[M+Na]+	252.99470	149.5
[M+NH4]+	248.03930	151.7
[M+K]+	268.96864	151.1
[M-H]-	228.99820	148.8
[M+Na-2H]-	250.98015	149.6
[M]+	230.00493	146.5
[M]-	230.00603	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe