CID 136328646

1542340-73-7

Structural Information

Molecular Formula

C₇H₁₀BrN₃

SMILES

CC1=NN2CCCNC2=C1Br

InChI

InChI=1S/C7H10BrN3/c1-5-6(8)7-9-3-2-4-11(7)10-5/h9H,2-4H2,1H3

InChIKey

JCQAOQOBVAKCKR-UHFFFAOYSA-N

Compound name

3-bromo-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.00581 Da
Monoisotopic Mass: 1.7
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]+	216.013086	139.8
[M+Na]+	237.995028	152.1
[M-H]-	213.998534	142.0
[M+NH4]+	233.039633	160.6
[M+K]+	253.968968	140.9
[M+H-H2O]+	198.003070	139.3
[M+HCOO]-	260.004011	155.5
[M+CH3COO]-	274.019661	153.9
[M+Na-2H]-	235.980476	146.5
[M]+	215.00526142	155.1
[M]-	215.00635858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.