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 157.2
[M+Na]+ 273.23012 160.3
[M-H]- 249.23362 156.5
[M+NH4]+ 268.27472 181.4
[M+K]+ 289.20406 146.7
[M+H-H2O]+ 233.23816 156.2
[M+HCOO]- 295.23910 167.0
[M+CH3COO]- 309.25475 194.7
[M+Na-2H]- 271.21557 169.9
[M]+ 250.24035 155.7
[M]- 250.24145 155.7
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.