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

24
Patents

254.2722 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.279476 165.3
[M+Na]+ 277.261418 166.2
[M-H]- 253.264924 167.1
[M+NH4]+ 272.306023 182.3
[M+K]+ 293.235358 152.9
[M+H-H2O]+ 237.269460 161.9
[M+HCOO]- 299.270401 176.6
[M+CH3COO]- 313.286051 183.3
[M+Na-2H]- 275.246866 172.2
[M]+ 254.27165142 154.9
[M]- 254.27274858 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