CID 11564142

1245190-21-9

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]+ 291.254316 175.4
[M+Na]+ 313.236258 182.8
[M-H]- 289.239764 177.3
[M+NH4]+ 308.280863 188.8
[M+K]+ 329.210198 168.0
[M+H-H2O]+ 273.244300 170.2
[M+HCOO]- 335.245241 195.3
[M+CH3COO]- 349.260891 192.4
[M+Na-2H]- 311.221706 180.9
[M]+ 290.24649142 178.4
[M]- 290.24758858 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