CID 83158

Dtxsid20927109

Structural Information

Molecular Formula
C16H34N2
SMILES
C[N+]1(CCCC1)CCCCCC[N+]2(CCCC2)C
InChI
InChI=1S/C16H34N2/c1-17(13-7-8-14-17)11-5-3-4-6-12-18(2)15-9-10-16-18/h3-16H2,1-2H3/q+2
InChIKey
OTQFRBPDKVOCRZ-UHFFFAOYSA-N
Compound name
1-methyl-1-[6-(1-methylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

254.2722 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.27948 164.9
[M+Na]+ 277.26142 167.8
[M-H]- 253.26492 167.5
[M+NH4]+ 272.30602 185.6
[M+K]+ 293.23536 154.5
[M+H-H2O]+ 237.26946 162.3
[M+HCOO]- 299.27040 180.6
[M+CH3COO]- 313.28605 183.2
[M+Na-2H]- 275.24687 169.4
[M]+ 254.27165 158.6
[M]- 254.27275 158.6
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