CID 583661

2-cyano-3,5-dimethylpyrazine

Structural Information

Molecular Formula

C₇H₇N₃

SMILES

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

InChI

InChI=1S/C7H7N3/c1-5-4-9-7(3-8)6(2)10-5/h4H,1-2H3

InChIKey

XTYCERZYFWJDBI-UHFFFAOYSA-N

Compound name

3,5-dimethylpyrazine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 133.064 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]+	134.071276	123.1
[M+Na]+	156.053218	134.4
[M-H]-	132.056724	123.9
[M+NH4]+	151.097823	140.6
[M+K]+	172.027158	132.4
[M+H-H2O]+	116.061260	109.6
[M+HCOO]-	178.062201	141.9
[M+CH3COO]-	192.077851	187.1
[M+Na-2H]-	154.038666	130.6
[M]+	133.06345142	118.7
[M]-	133.06454858	118.7

Literature stripe

literature stripe

Patent stripe

patents stripe