CID 58719811

1268143-41-4

Structural Information

Molecular Formula

C₇H₁₁BrN₂

SMILES

CC(C)CN1C=CN=C1Br

InChI

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

InChIKey

SJZPNUKOXYWYMA-UHFFFAOYSA-N

Compound name

2-bromo-1-(2-methylpropyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 202.01056 Da
Monoisotopic Mass: 2.3
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]+	203.017836	136.4
[M+Na]+	224.999778	148.8
[M-H]-	201.003284	140.5
[M+NH4]+	220.044383	158.7
[M+K]+	240.973718	138.9
[M+H-H2O]+	185.007820	135.9
[M+HCOO]-	247.008761	156.6
[M+CH3COO]-	261.024411	183.4
[M+Na-2H]-	222.985226	142.6
[M]+	202.01001142	155.7
[M]-	202.01110858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe