CID 3048054

63884-28-6

Structural Information

Molecular Formula
C22H46N2
SMILES
C[N+]1(CCCCC1)CCCCCCCCCC[N+]2(CCCCC2)C
InChI
InChI=1S/C22H46N2/c1-23(19-13-9-14-20-23)17-11-7-5-3-4-6-8-12-18-24(2)21-15-10-16-22-24/h3-22H2,1-2H3/q+2
InChIKey
FVRLPRFLAPVBSW-UHFFFAOYSA-N
Compound name
1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

338.3661 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.37338 191.3
[M+Na]+ 361.35532 189.6
[M-H]- 337.35882 191.8
[M+NH4]+ 356.39992 204.8
[M+K]+ 377.32926 174.8
[M+H-H2O]+ 321.36336 186.6
[M+HCOO]- 383.36430 200.5
[M+CH3COO]- 397.37995 200.9
[M+Na-2H]- 359.34077 195.1
[M]+ 338.36555 182.8
[M]- 338.36665 182.8
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