CID 44542669

2-bromo-n-(pyrazin-2-yl)acetamide

Structural Information

Molecular Formula

C₆H₆BrN₃O

SMILES

C1=CN=C(C=N1)NC(=O)CBr

InChI

InChI=1S/C6H6BrN3O/c7-3-6(11)10-5-4-8-1-2-9-5/h1-2,4H,3H2,(H,9,10,11)

InChIKey

WKCWELSTTLPNKW-UHFFFAOYSA-N

Compound name

2-bromo-N-pyrazin-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 214.96942 Da
Monoisotopic Mass: 0.8
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]+	215.97670	132.8
[M+Na]+	237.95864	143.8
[M-H]-	213.96214	136.5
[M+NH4]+	233.00324	152.0
[M+K]+	253.93258	133.3
[M+H-H2O]+	197.96668	131.4
[M+HCOO]-	259.96762	153.8
[M+CH3COO]-	273.98327	184.2
[M+Na-2H]-	235.94409	143.0
[M]+	214.96887	150.6
[M]-	214.96997	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe