CID 3048524

P-xylylenebis(n-methylpiperidinium bromide)

Structural Information

Molecular Formula
C20H34N2
SMILES
C[N+]1(CCCCC1)CC2=CC=C(C=C2)C[N+]3(CCCCC3)C
InChI
InChI=1S/C20H34N2/c1-21(13-5-3-6-14-21)17-19-9-11-20(12-10-19)18-22(2)15-7-4-8-16-22/h9-12H,3-8,13-18H2,1-2H3/q+2
InChIKey
GXTHLZYHVAVGCT-UHFFFAOYSA-N
Compound name
1-methyl-1-[[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

302.2722 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.279476 179.1
[M+Na]+ 325.261418 180.4
[M-H]- 301.264924 184.0
[M+NH4]+ 320.306023 193.8
[M+K]+ 341.235358 165.1
[M+H-H2O]+ 285.269460 173.4
[M+HCOO]- 347.270401 190.3
[M+CH3COO]- 361.286051 191.9
[M+Na-2H]- 323.246866 185.1
[M]+ 302.27165142 167.7
[M]- 302.27274858 167.7
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

patents stripe