CID 41852

Hexyl viologen

Structural Information

Molecular Formula
C22H34N2
SMILES
CCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCC
InChI
InChI=1S/C22H34N2/c1-3-5-7-9-15-23-17-11-21(12-18-23)22-13-19-24(20-14-22)16-10-8-6-4-2/h11-14,17-20H,3-10,15-16H2,1-2H3/q+2
InChIKey
IOWQHNLDXBGENT-UHFFFAOYSA-N
Compound name
1-hexyl-4-(1-hexylpyridin-1-ium-4-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

592
Patents

326.2722 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.27948 191.1
[M+Na]+ 349.26142 195.6
[M-H]- 325.26492 194.0
[M+NH4]+ 344.30602 201.8
[M+K]+ 365.23536 178.7
[M+H-H2O]+ 309.26946 185.8
[M+HCOO]- 371.27040 208.9
[M+CH3COO]- 385.28605 201.5
[M+Na-2H]- 347.24687 197.4
[M]+ 326.27165 192.1
[M]- 326.27275 192.1
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