CID 50988940

2-(4-bromo-1h-pyrazol-1-yl)-n,n-dimethylacetamide

Structural Information

Molecular Formula

C₇H₁₀BrN₃O

SMILES

CN(C)C(=O)CN1C=C(C=N1)Br

InChI

InChI=1S/C7H10BrN3O/c1-10(2)7(12)5-11-4-6(8)3-9-11/h3-4H,5H2,1-2H3

InChIKey

YFVQBJPNNRSACN-UHFFFAOYSA-N

Compound name

2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 231.00072 Da
Monoisotopic Mass: 0.6
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]+	232.00800	145.2
[M+Na]+	253.98994	146.2
[M+NH4]+	249.03454	148.7
[M+K]+	269.96388	149.1
[M-H]-	229.99344	144.1
[M+Na-2H]-	251.97539	146.9
[M]+	231.00017	143.5
[M]-	231.00127	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe