CID 203052

4,7-ethanoisoindolinium, 3a,4,7,7a-tetrahydro-2-methyl-2-(2-(trimethylammonio)ethyl)-, diiodide

Structural Information

Molecular Formula
C16H30N2
SMILES
C[N+]1(CC2C3CCC(C2C1)C=C3)CC[N+](C)(C)C
InChI
InChI=1S/C16H30N2/c1-17(2,3)9-10-18(4)11-15-13-5-6-14(8-7-13)16(15)12-18/h5-6,13-16H,7-12H2,1-4H3/q+2
InChIKey
FAKKXDNBZZKDEJ-UHFFFAOYSA-N
Compound name
trimethyl-[2-(4-methyl-4-azoniatricyclo[5.2.2.02,6]undec-8-en-4-yl)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.2409 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.24818 151.5
[M+Na]+ 273.23012 164.6
[M+NH4]+ 268.27472 166.4
[M+K]+ 289.20406 158.0
[M-H]- 249.23362 155.1
[M+Na-2H]- 271.21557 154.0
[M]+ 250.24035 155.4
[M]- 250.24145 155.4
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

No patent data available for this compound.