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

6
Annotation Hits: 0
References: 2897
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]+	123.091676	123.8
[M+Na]+	145.073618	131.9
[M-H]-	121.077124	124.7
[M+NH4]+	140.118223	143.5
[M+K]+	161.047558	130.8
[M+H-H2O]+	105.081660	116.9
[M+HCOO]-	167.082601	145.4
[M+CH3COO]-	181.098251	171.6
[M+Na-2H]-	143.059066	132.1
[M]+	122.08385142	123.4
[M]-	122.08494858	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe