CID 10198541

Gt-2227

Structural Information

Molecular Formula
C15H24N2
SMILES
C1CCC(CC1)CC/C=C\CCC2=CN=CN2
InChI
InChI=1S/C15H24N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h1-2,12-14H,3-11H2,(H,16,17)/b2-1-
InChIKey
JFGALMNHKIPJOE-UPHRSURJSA-N
Compound name
5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

232.19395 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.20123 159.3
[M+Na]+ 255.18317 162.1
[M-H]- 231.18667 159.8
[M+NH4]+ 250.22777 174.9
[M+K]+ 271.15711 157.2
[M+H-H2O]+ 215.19121 150.2
[M+HCOO]- 277.19215 175.8
[M+CH3COO]- 291.20780 187.3
[M+Na-2H]- 253.16862 160.5
[M]+ 232.19340 153.4
[M]- 232.19450 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe