CID 155819608

2470439-66-6

Structural Information

Molecular Formula

C₉H₁₄BrN₃

SMILES

CC(C)N1C(=C(C(=N1)C2CC2)Br)N

InChI

InChI=1S/C9H14BrN3/c1-5(2)13-9(11)7(10)8(12-13)6-3-4-6/h5-6H,3-4,11H2,1-2H3

InChIKey

CEUUYODXWAUPLJ-UHFFFAOYSA-N

Compound name

4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.03711 Da
Monoisotopic Mass: 1.9
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]+	244.044386	150.1
[M+Na]+	266.026328	164.2
[M-H]-	242.029834	157.7
[M+NH4]+	261.070933	166.0
[M+K]+	282.000268	151.3
[M+H-H2O]+	226.034370	148.4
[M+HCOO]-	288.035311	170.3
[M+CH3COO]-	302.050961	196.2
[M+Na-2H]-	264.011776	153.3
[M]+	243.03656142	169.2
[M]-	243.03765858	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.