CID 121552334

4-(bromomethyl)-2-ethyl-5-methyl-2h-1,2,3-triazole

Structural Information

Molecular Formula

C₆H₁₀BrN₃

SMILES

CCN1N=C(C(=N1)CBr)C

InChI

InChI=1S/C6H10BrN3/c1-3-10-8-5(2)6(4-7)9-10/h3-4H2,1-2H3

InChIKey

VNVAMTOAZVACHK-UHFFFAOYSA-N

Compound name

4-(bromomethyl)-2-ethyl-5-methyltriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.00581 Da
Monoisotopic Mass: 1.5
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]+	204.013086	133.5
[M+Na]+	225.995028	147.5
[M-H]-	201.998534	136.7
[M+NH4]+	221.039633	154.9
[M+K]+	241.968968	137.3
[M+H-H2O]+	186.003070	132.7
[M+HCOO]-	248.004011	153.8
[M+CH3COO]-	262.019661	183.5
[M+Na-2H]-	223.980476	140.7
[M]+	203.00526142	153.9
[M]-	203.00635858	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.