CID 122383

2-methyl-5-propylpyrazine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CCCC1=NC=C(N=C1)C

InChI

InChI=1S/C8H12N2/c1-3-4-8-6-9-7(2)5-10-8/h5-6H,3-4H2,1-2H3

InChIKey

DAOYAWODBHNYDA-UHFFFAOYSA-N

Compound name

2-methyl-5-propylpyrazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 152
Patents: 136.10005 Da
Monoisotopic Mass: 1.4
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]+	137.10733	127.9
[M+Na]+	159.08927	136.8
[M-H]-	135.09277	128.9
[M+NH4]+	154.13387	147.4
[M+K]+	175.06321	135.0
[M+H-H2O]+	119.09731	121.0
[M+HCOO]-	181.09825	150.2
[M+CH3COO]-	195.11390	174.9
[M+Na-2H]-	157.07472	136.2
[M]+	136.09950	128.9
[M]-	136.10060	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe