CID 413758

4,7-methanoisoindolinium, 3a,7a-dihydro-2-methyl-2-(3-(4-methyl-4-morpholinio)propyl)-, diiodide

Structural Information

Molecular Formula
C18H32N2O
SMILES
C[N+]1(CCOCC1)CCC[N+]2(CC3C4CC(C3C2)C=C4)C
InChI
InChI=1S/C18H32N2O/c1-19(8-10-21-11-9-19)6-3-7-20(2)13-17-15-4-5-16(12-15)18(17)14-20/h4-5,15-18H,3,6-14H2,1-2H3/q+2
InChIKey
IAGUZLAALPHMBW-UHFFFAOYSA-N
Compound name
4-methyl-4-[3-(4-methyl-4-azoniatricyclo[5.2.1.02,6]dec-8-en-4-yl)propyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.25146 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.25874 172.4
[M+Na]+ 315.24068 177.1
[M-H]- 291.24418 176.5
[M+NH4]+ 310.28528 194.7
[M+K]+ 331.21462 163.2
[M+H-H2O]+ 275.24872 170.5
[M+HCOO]- 337.24966 184.0
[M+CH3COO]- 351.26531 190.4
[M+Na-2H]- 313.22613 176.1
[M]+ 292.25091 167.0
[M]- 292.25201 167.0
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.