CID 3017632

2,3-dihydro-2,5,6-trimethylpyrazine

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CC1CN=C(C(=N1)C)C

InChI

InChI=1S/C7H12N2/c1-5-4-8-6(2)7(3)9-5/h5H,4H2,1-3H3

InChIKey

YVYGFQPWNRTJNS-UHFFFAOYSA-N

Compound name

2,5,6-trimethyl-2,3-dihydropyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 124.10005 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]+	125.107326	124.9
[M+Na]+	147.089268	134.2
[M-H]-	123.092774	126.2
[M+NH4]+	142.133873	145.2
[M+K]+	163.063208	132.9
[M+H-H2O]+	107.097310	118.4
[M+HCOO]-	169.098251	146.1
[M+CH3COO]-	183.113901	173.3
[M+Na-2H]-	145.074716	131.9
[M]+	124.09950142	124.5
[M]-	124.10059858	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe