CID 54759034

1311197-79-1

Structural Information

Molecular Formula

C₁₁H₁₁BrN₂

SMILES

CN1C2=C(C=C(C=C2)Br)C(=N1)C3CC3

InChI

InChI=1S/C11H11BrN2/c1-14-10-5-4-8(12)6-9(10)11(13-14)7-2-3-7/h4-7H,2-3H2,1H3

InChIKey

KJFYYJFGROXETI-UHFFFAOYSA-N

Compound name

5-bromo-3-cyclopropyl-1-methylindazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 250.01056 Da
Monoisotopic Mass: 2.8
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]+	251.01784	152.1
[M+Na]+	272.99978	168.6
[M-H]-	249.00328	161.2
[M+NH4]+	268.04438	169.4
[M+K]+	288.97372	155.8
[M+H-H2O]+	233.00782	151.2
[M+HCOO]-	295.00876	173.5
[M+CH3COO]-	309.02441	167.5
[M+Na-2H]-	270.98523	159.1
[M]+	250.01001	174.2
[M]-	250.01111	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe