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
5
Annotation Hits

0
References

96
Patents

176.13135 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13863 139.9
[M+Na]+ 199.12057 144.7
[M-H]- 175.12407 142.6
[M+NH4]+ 194.16517 156.7
[M+K]+ 215.09451 141.9
[M+H-H2O]+ 159.12861 131.0
[M+HCOO]- 221.12955 158.3
[M+CH3COO]- 235.14520 151.3
[M+Na-2H]- 197.10602 146.6
[M]+ 176.13080 134.6
[M]- 176.13190 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe