CID 116260

P-xylenebis(n-methyl morpholinium bromide)

Structural Information

Molecular Formula
C18H30N2O2
SMILES
C[N+]1(CCOCC1)CC2=CC=C(C=C2)C[N+]3(CCOCC3)C
InChI
InChI=1S/C18H30N2O2/c1-19(7-11-21-12-8-19)15-17-3-5-18(6-4-17)16-20(2)9-13-22-14-10-20/h3-6H,7-16H2,1-2H3/q+2
InChIKey
QNEOZASMPVJLFD-UHFFFAOYSA-N
Compound name
4-methyl-4-[[4-[(4-methylmorpholin-4-ium-4-yl)methyl]phenyl]methyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.23074 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.238016 175.2
[M+Na]+ 329.219958 177.4
[M-H]- 305.223464 181.7
[M+NH4]+ 324.264563 187.1
[M+K]+ 345.193898 165.7
[M+H-H2O]+ 289.228000 169.8
[M+HCOO]- 351.228941 185.6
[M+CH3COO]- 365.244591 190.1
[M+Na-2H]- 327.205406 184.1
[M]+ 306.23019142 167.2
[M]- 306.23128858 167.2
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.