CID 6261183

(4-cycloocten-1-yl)trimethylammonium iodide

Structural Information

Molecular Formula
C11H22N
SMILES
C[N+](C)(C)C1CCC/C=C\CC1
InChI
InChI=1S/C11H22N/c1-12(2,3)11-9-7-5-4-6-8-10-11/h4-5,11H,6-10H2,1-3H3/q+1/b5-4-
InChIKey
MNVJTAPXMMKFEW-PLNGDYQASA-N
Compound name
[(4Z)-cyclooct-4-en-1-yl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.17523 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.18251 143.1
[M+Na]+ 191.16445 147.0
[M-H]- 167.16795 145.5
[M+NH4]+ 186.20905 152.7
[M+K]+ 207.13839 145.6
[M+H-H2O]+ 151.17249 141.1
[M+HCOO]- 213.17343 152.8
[M+CH3COO]- 227.18908 220.5
[M+Na-2H]- 189.14990 145.7
[M]+ 168.17468 141.3
[M]- 168.17578 141.3
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.