CID 61700

2-isopropyl-5-methylpyrazine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC1=CN=C(C=N1)C(C)C

InChI

InChI=1S/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3

InChIKey

PGTQKVQDZHXLOP-UHFFFAOYSA-N

Compound name

2-methyl-5-propan-2-ylpyrazine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 718
Patents: 136.10005 Da
Monoisotopic Mass: 1.3
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]+	137.10733	128.4
[M+Na]+	159.08927	142.2
[M+NH4]+	154.13387	137.1
[M+K]+	175.06321	135.8
[M-H]-	135.09277	130.1
[M+Na-2H]-	157.07472	136.1
[M]+	136.09950	130.9
[M]-	136.10060	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe