CID 34590

2-isopropylpyrazine

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

CC(C)C1=NC=CN=C1

InChI

InChI=1S/C7H10N2/c1-6(2)7-5-8-3-4-9-7/h3-6H,1-2H3

InChIKey

GIMBKDZNMKTZMG-UHFFFAOYSA-N

Compound name

2-propan-2-ylpyrazine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2742
Patents: 122.0844 Da
Monoisotopic Mass: 1.0
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]+	123.09168	124.2
[M+Na]+	145.07362	137.8
[M+NH4]+	140.11822	133.0
[M+K]+	161.04756	131.4
[M-H]-	121.07712	125.7
[M+Na-2H]-	143.05907	132.3
[M]+	122.08385	126.5
[M]-	122.08495	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe