CID 3032561

1,10-bis(trimethylammonium)-5-chloro-6-iodo-5-decene dichloride

Structural Information

Molecular Formula
C16H34ClIN2
SMILES
C[N+](C)(C)CCCC/C(=C(/CCCC[N+](C)(C)C)\I)/Cl
InChI
InChI=1S/C16H34ClIN2/c1-19(2,3)13-9-7-11-15(17)16(18)12-8-10-14-20(4,5)6/h7-14H2,1-6H3/q+2/b16-15+
InChIKey
ORCJAKHVLKXSDC-FOCLMDBBSA-N
Compound name
[(E)-5-chloro-6-iodo-10-(trimethylazaniumyl)dec-5-enyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1455 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.15278 189.8
[M+Na]+ 439.13472 186.5
[M-H]- 415.13822 185.2
[M+NH4]+ 434.17932 201.6
[M+K]+ 455.10866 179.2
[M+H-H2O]+ 399.14276 186.4
[M+HCOO]- 461.14370 199.9
[M+CH3COO]- 475.15935 213.7
[M+Na-2H]- 437.12017 183.4
[M]+ 416.14495 189.6
[M]- 416.14605 189.6
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.