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: 82
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	136.3
[M+Na]+	237.95864	138.8
[M+NH4]+	233.00324	140.1
[M+K]+	253.93258	139.6
[M-H]-	213.96214	135.8
[M+Na-2H]-	235.94409	140.2
[M]+	214.96887	135.1
[M]-	214.96997	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe