CID 68316574

5h-pyrrolo[2,3-b]pyrazine-2-carbonitrile

Structural Information

Molecular Formula

C₇H₄N₄

SMILES

C1=CNC2=NC=C(N=C21)C#N

InChI

InChI=1S/C7H4N4/c8-3-5-4-10-7-6(11-5)1-2-9-7/h1-2,4H,(H,9,10)

InChIKey

ZHCAJBRYXOJXNE-UHFFFAOYSA-N

Compound name

5H-pyrrolo[2,3-b]pyrazine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 144.0436 Da
Monoisotopic Mass: 0.4
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]+	145.05088	131.0
[M+Na]+	167.03282	144.3
[M+NH4]+	162.07742	135.7
[M+K]+	183.00676	136.4
[M-H]-	143.03632	124.2
[M+Na-2H]-	165.01827	135.4
[M]+	144.04305	130.1
[M]-	144.04415	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe