CID 519203

2-isopropyl-3-methylpyrazine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC1=NC=CN=C1C(C)C

InChI

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

InChIKey

LNSYLBDZKBWDNL-UHFFFAOYSA-N

Compound name

2-methyl-3-propan-2-ylpyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 235
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]+	137.107326	127.9
[M+Na]+	159.089268	136.6
[M-H]-	135.092774	129.2
[M+NH4]+	154.133873	147.5
[M+K]+	175.063208	135.3
[M+H-H2O]+	119.097310	121.1
[M+HCOO]-	181.098251	149.3
[M+CH3COO]-	195.113901	175.7
[M+Na-2H]-	157.074716	135.0
[M]+	136.09950142	128.3
[M]-	136.10059858	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe