CID 22758

6309-71-3

Structural Information

Molecular Formula
C17H32N2O
SMILES
C[N+]1(CCOCC1)CCC[N+]2(CC3CC=CCC3C2)C
InChI
InChI=1S/C17H32N2O/c1-18(10-12-20-13-11-18)8-5-9-19(2)14-16-6-3-4-7-17(16)15-19/h3-4,16-17H,5-15H2,1-2H3/q+2
InChIKey
KXJRKGQOIVIEDP-UHFFFAOYSA-N
Compound name
4-methyl-4-[3-(2-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-ium-2-yl)propyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.25146 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.258736 169.0
[M+Na]+ 303.240678 171.7
[M-H]- 279.244184 172.6
[M+NH4]+ 298.285283 186.5
[M+K]+ 319.214618 158.5
[M+H-H2O]+ 263.248720 165.3
[M+HCOO]- 325.249661 179.7
[M+CH3COO]- 339.265311 186.5
[M+Na-2H]- 301.226126 175.8
[M]+ 280.25091142 160.5
[M]- 280.25200858 160.5
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.