CID 77425

3810-53-5

Structural Information

Molecular Formula
C16H34N2
SMILES
C[N+]1(CCCCC1)CCCC[N+]2(CCCCC2)C
InChI
InChI=1S/C16H34N2/c1-17(11-5-3-6-12-17)15-9-10-16-18(2)13-7-4-8-14-18/h3-16H2,1-2H3/q+2
InChIKey
ZENRZVVLGKAAGY-UHFFFAOYSA-N
Compound name
1-methyl-1-[4-(1-methylpiperidin-1-ium-1-yl)butyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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 166.2
[M+Na]+ 277.26142 180.3
[M+NH4]+ 272.30602 179.9
[M+K]+ 293.23536 169.0
[M-H]- 253.26492 173.1
[M+Na-2H]- 275.24687 176.0
[M]+ 254.27165 171.2
[M]- 254.27275 171.2
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