CID 138754751

2171313-97-4

Structural Information

Molecular Formula

C₆H₁₀BrN₃

SMILES

CC(C)N1C=C(C(=N1)Br)N

InChI

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

InChIKey

PTZLKPQFAXTFOS-UHFFFAOYSA-N

Compound name

3-bromo-1-propan-2-ylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.00581 Da
Monoisotopic Mass: 1.3
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]+	204.013086	136.0
[M+Na]+	225.995028	148.6
[M-H]-	201.998534	140.0
[M+NH4]+	221.039633	157.8
[M+K]+	241.968968	138.1
[M+H-H2O]+	186.003070	134.9
[M+HCOO]-	248.004011	156.7
[M+CH3COO]-	262.019661	185.4
[M+Na-2H]-	223.980476	141.2
[M]+	203.00526142	153.5
[M]-	203.00635858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.