CID 132167367

2306262-32-6

Structural Information

Molecular Formula

C₉H₁₃BrN₂O

SMILES

CC1=NN(C(=C1)Br)C2CCCCO2

InChI

InChI=1S/C9H13BrN2O/c1-7-6-8(10)12(11-7)9-4-2-3-5-13-9/h6,9H,2-5H2,1H3

InChIKey

FWJFVRFANIEHHO-UHFFFAOYSA-N

Compound name

5-bromo-3-methyl-1-(oxan-2-yl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 244.02113 Da
Monoisotopic Mass: 2.4
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]+	245.02841	150.9
[M+Na]+	267.01035	153.7
[M+NH4]+	262.05495	155.6
[M+K]+	282.98429	155.2
[M-H]-	243.01385	152.9
[M+Na-2H]-	264.99580	153.2
[M]+	244.02058	150.6
[M]-	244.02168	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe