CID 16204532

(cyclohexylmethyl)pyrazine

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

C1CCC(CC1)CC2=NC=CN=C2

InChI

InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h6-7,9-10H,1-5,8H2

InChIKey

DGJZDAIWCSVZBI-UHFFFAOYSA-N

Compound name

2-(cyclohexylmethyl)pyrazine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 88
Patents: 176.13135 Da
Monoisotopic Mass: 2.9
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]+	177.138626	139.9
[M+Na]+	199.120568	144.7
[M-H]-	175.124074	142.6
[M+NH4]+	194.165173	156.7
[M+K]+	215.094508	141.9
[M+H-H2O]+	159.128610	131.0
[M+HCOO]-	221.129551	158.3
[M+CH3COO]-	235.145201	151.3
[M+Na-2H]-	197.106016	146.6
[M]+	176.13080142	134.6
[M]-	176.13189858	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe