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]+ 307.23802 175.2
[M+Na]+ 329.21996 177.4
[M-H]- 305.22346 181.7
[M+NH4]+ 324.26456 187.1
[M+K]+ 345.19390 165.7
[M+H-H2O]+ 289.22800 169.8
[M+HCOO]- 351.22894 185.6
[M+CH3COO]- 365.24459 190.1
[M+Na-2H]- 327.20541 184.1
[M]+ 306.23019 167.2
[M]- 306.23129 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.