CID 3048261

63886-48-6

Structural Information

Molecular Formula
C22H46N2
SMILES
C[N+]1(CCCC1)CCCCCCCCCCCC[N+]2(CCCC2)C
InChI
InChI=1S/C22H46N2/c1-23(19-13-14-20-23)17-11-9-7-5-3-4-6-8-10-12-18-24(2)21-15-16-22-24/h3-22H2,1-2H3/q+2
InChIKey
NKXQMWYFXAHFAC-UHFFFAOYSA-N
Compound name
1-methyl-1-[12-(1-methylpyrrolidin-1-ium-1-yl)dodecyl]pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

338.3661 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.37338 191.2
[M+Na]+ 361.35532 191.5
[M-H]- 337.35882 192.6
[M+NH4]+ 356.39992 208.5
[M+K]+ 377.32926 176.7
[M+H-H2O]+ 321.36336 187.5
[M+HCOO]- 383.36430 204.9
[M+CH3COO]- 397.37995 200.6
[M+Na-2H]- 359.34077 192.6
[M]+ 338.36555 186.9
[M]- 338.36665 186.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe