CID 3048253

63886-44-2

Structural Information

Molecular Formula
C20H42N2
SMILES
C[N+]1(CCCC1)CCCCCCCCCC[N+]2(CCCC2)C
InChI
InChI=1S/C20H42N2/c1-21(17-11-12-18-21)15-9-7-5-3-4-6-8-10-16-22(2)19-13-14-20-22/h3-20H2,1-2H3/q+2
InChIKey
ZFKUAQAUROHDKG-UHFFFAOYSA-N
Compound name
1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

310.3348 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.34208 182.1
[M+Na]+ 333.32402 193.1
[M+NH4]+ 328.36862 194.5
[M+K]+ 349.29796 185.1
[M-H]- 309.32752 187.2
[M+Na-2H]- 331.30947 189.1
[M]+ 310.33425 185.9
[M]- 310.33535 185.9
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