CID 300516

2,3-dicyano-5-methylpyrazine

Structural Information

Molecular Formula

C₇H₄N₄

SMILES

CC1=CN=C(C(=N1)C#N)C#N

InChI

InChI=1S/C7H4N4/c1-5-4-10-6(2-8)7(3-9)11-5/h4H,1H3

InChIKey

RHYUBLSWHDYKAO-UHFFFAOYSA-N

Compound name

5-methylpyrazine-2,3-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 144.0436 Da
Monoisotopic Mass: 0.3
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	138.0
[M+Na]+	167.03282	148.1
[M-H]-	143.03632	139.1
[M+NH4]+	162.07742	150.0
[M+K]+	183.00676	146.0
[M+H-H2O]+	127.04086	121.6
[M+HCOO]-	189.04180	149.6
[M+CH3COO]-	203.05745	210.4
[M+Na-2H]-	165.01827	142.1
[M]+	144.04305	129.9
[M]-	144.04415	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe