CID 3048300

63887-44-5

Structural Information

Molecular Formula
C18H38N2
SMILES
C[N+]1(CCCCC1)CCCCCC[N+]2(CCCCC2)C
InChI
InChI=1S/C18H38N2/c1-19(15-9-5-10-16-19)13-7-3-4-8-14-20(2)17-11-6-12-18-20/h3-18H2,1-2H3/q+2
InChIKey
SHVYPTOWNDGXEG-UHFFFAOYSA-N
Compound name
1-methyl-1-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

282.3035 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.31078 174.0
[M+Na]+ 305.29272 174.1
[M-H]- 281.29622 175.4
[M+NH4]+ 300.33732 189.9
[M+K]+ 321.26666 160.3
[M+H-H2O]+ 265.30076 170.2
[M+HCOO]- 327.30170 184.7
[M+CH3COO]- 341.31735 189.2
[M+Na-2H]- 303.27817 179.9
[M]+ 282.30295 164.3
[M]- 282.30405 164.3
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