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

31
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 165.3
[M+Na]+ 277.26142 166.2
[M-H]- 253.26492 167.1
[M+NH4]+ 272.30602 182.3
[M+K]+ 293.23536 152.9
[M+H-H2O]+ 237.26946 161.9
[M+HCOO]- 299.27040 176.6
[M+CH3COO]- 313.28605 183.3
[M+Na-2H]- 275.24687 172.2
[M]+ 254.27165 154.9
[M]- 254.27275 154.9
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