CID 130638461

1849335-95-0

Structural Information

Molecular Formula

C₆H₁₀BrN₃

SMILES

CNCC1=CC(=NN1C)Br

InChI

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

InChIKey

MIRHYGZKOTVCRB-UHFFFAOYSA-N

Compound name

1-(5-bromo-2-methylpyrazol-3-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.00581 Da
Monoisotopic Mass: 0.7
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]+	204.01309	134.4
[M+Na]+	225.99503	147.3
[M-H]-	201.99853	138.7
[M+NH4]+	221.03963	156.5
[M+K]+	241.96897	136.7
[M+H-H2O]+	186.00307	133.3
[M+HCOO]-	248.00401	156.7
[M+CH3COO]-	262.01966	185.2
[M+Na-2H]-	223.98048	141.8
[M]+	203.00526	153.4
[M]-	203.00636	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.