CID 3048073

P-xylylenebis(n-methyl pyrrolidinium bromide)

Structural Information

Molecular Formula
C18H30N2
SMILES
C[N+]1(CCCC1)CC2=CC=C(C=C2)C[N+]3(CCCC3)C
InChI
InChI=1S/C18H30N2/c1-19(11-3-4-12-19)15-17-7-9-18(10-8-17)16-20(2)13-5-6-14-20/h7-10H,3-6,11-16H2,1-2H3/q+2
InChIKey
JFXHPLSYYDMHRD-UHFFFAOYSA-N
Compound name
1-methyl-1-[[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]methyl]pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

274.2409 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.24818 166.7
[M+Na]+ 297.23012 181.3
[M+NH4]+ 292.27472 180.7
[M+K]+ 313.20406 173.7
[M-H]- 273.23362 174.8
[M+Na-2H]- 295.21557 178.0
[M]+ 274.24035 172.1
[M]- 274.24145 172.1
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