CID 11564142

Dtxsid70746786

Structural Information

Molecular Formula
C17H30N4
SMILES
C[N+]1=CN(C=C1)CCCCCCCCCN2C=C[N+](=C2)C
InChI
InChI=1S/C17H30N4/c1-18-12-14-20(16-18)10-8-6-4-3-5-7-9-11-21-15-13-19(2)17-21/h12-17H,3-11H2,1-2H3/q+2
InChIKey
XLTQDDKXZZAPHI-UHFFFAOYSA-N
Compound name
1-methyl-3-[9-(3-methylimidazol-3-ium-1-yl)nonyl]imidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

290.24704 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.25432 175.4
[M+Na]+ 313.23626 182.8
[M-H]- 289.23976 177.3
[M+NH4]+ 308.28086 188.8
[M+K]+ 329.21020 168.0
[M+H-H2O]+ 273.24430 170.2
[M+HCOO]- 335.24524 195.3
[M+CH3COO]- 349.26089 192.4
[M+Na-2H]- 311.22171 180.9
[M]+ 290.24649 178.4
[M]- 290.24759 178.4
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