CID 66509447

1354704-68-9

Structural Information

Molecular Formula

C₇H₁₁BrN₂

SMILES

CC(C)CN1C=CC(=N1)Br

InChI

InChI=1S/C7H11BrN2/c1-6(2)5-10-4-3-7(8)9-10/h3-4,6H,5H2,1-2H3

InChIKey

QCKZMRSJDCPZIC-UHFFFAOYSA-N

Compound name

3-bromo-1-(2-methylpropyl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.01056 Da
Monoisotopic Mass: 2.5
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]+	203.01784	140.6
[M+Na]+	224.99978	143.0
[M+NH4]+	220.04438	145.2
[M+K]+	240.97372	144.7
[M-H]-	201.00328	139.8
[M+Na-2H]-	222.98523	142.9
[M]+	202.01001	139.4
[M]-	202.01111	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.