CID 46033

Ammonium, (4-(p-ethyldimethylammoniophenyl)butyl)ethyldimethyl-, diiodide

Structural Information

Molecular Formula
C18H34N2
SMILES
CC[N+](C)(C)CCCCC1=CC=C(C=C1)[N+](C)(C)CC
InChI
InChI=1S/C18H34N2/c1-7-19(3,4)16-10-9-11-17-12-14-18(15-13-17)20(5,6)8-2/h12-15H,7-11,16H2,1-6H3/q+2
InChIKey
BUNQDPXDLUTISX-UHFFFAOYSA-N
Compound name
ethyl-[4-[4-[ethyl(dimethyl)azaniumyl]butyl]phenyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2722 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.27948 167.2
[M+Na]+ 301.26142 171.5
[M-H]- 277.26492 173.1
[M+NH4]+ 296.30602 184.3
[M+K]+ 317.23536 158.9
[M+H-H2O]+ 261.26946 166.0
[M+HCOO]- 323.27040 189.4
[M+CH3COO]- 337.28605 203.3
[M+Na-2H]- 299.24687 177.8
[M]+ 278.27165 168.7
[M]- 278.27275 168.7
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

No patent data available for this compound.