CID 45791463

4-(3-bromopropyl)-1-methyl-1h-pyrazole

Structural Information

Molecular Formula

C₇H₁₁BrN₂

SMILES

CN1C=C(C=N1)CCCBr

InChI

InChI=1S/C7H11BrN2/c1-10-6-7(5-9-10)3-2-4-8/h5-6H,2-4H2,1H3

InChIKey

IFOGCDKQKBWMGC-UHFFFAOYSA-N

Compound name

4-(3-bromopropyl)-1-methylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 202.01056 Da
Monoisotopic Mass: 1.6
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]+	203.01784	142.0
[M+Na]+	224.99978	144.6
[M+NH4]+	220.04438	146.5
[M+K]+	240.97372	145.5
[M-H]-	201.00328	141.2
[M+Na-2H]-	222.98523	144.4
[M]+	202.01001	140.8
[M]-	202.01111	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe