CID 16122577

1,1'-hexane-1,6-diylbis(1h-imidazole)

Structural Information

Molecular Formula
C12H18N4
SMILES
C1=CN(C=N1)CCCCCCN2C=CN=C2
InChI
InChI=1S/C12H18N4/c1(3-7-15-9-5-13-11-15)2-4-8-16-10-6-14-12-16/h5-6,9-12H,1-4,7-8H2
InChIKey
CHRPUSCNMSNSKL-UHFFFAOYSA-N
Compound name
1-(6-imidazol-1-ylhexyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

71
Patents

218.15315 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.16043 148.6
[M+Na]+ 241.14237 156.9
[M-H]- 217.14587 150.0
[M+NH4]+ 236.18697 165.0
[M+K]+ 257.11631 153.8
[M+H-H2O]+ 201.15041 138.4
[M+HCOO]- 263.15135 171.3
[M+CH3COO]- 277.16700 187.4
[M+Na-2H]- 239.12782 153.1
[M]+ 218.15260 152.0
[M]- 218.15370 152.0
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