CID 518790

2,5-dimethyl-3-isopropylpyrazine

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

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

InChI

InChI=1S/C9H14N2/c1-6(2)9-8(4)10-5-7(3)11-9/h5-6H,1-4H3

InChIKey

NJTFLPVGROFSPU-UHFFFAOYSA-N

Compound name

2,5-dimethyl-3-propan-2-ylpyrazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 66
Patents: 150.11569 Da
Monoisotopic Mass: 1.7
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]+	151.12297	132.8
[M+Na]+	173.10491	146.8
[M+NH4]+	168.14951	141.3
[M+K]+	189.07885	140.4
[M-H]-	149.10841	134.5
[M+Na-2H]-	171.09036	139.9
[M]+	150.11514	135.3
[M]-	150.11624	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe