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]+ 251.248176 157.2
[M+Na]+ 273.230118 160.3
[M-H]- 249.233624 156.5
[M+NH4]+ 268.274723 181.4
[M+K]+ 289.204058 146.7
[M+H-H2O]+ 233.238160 156.2
[M+HCOO]- 295.239101 167.0
[M+CH3COO]- 309.254751 194.7
[M+Na-2H]- 271.215566 169.9
[M]+ 250.24035142 155.7
[M]- 250.24144858 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.