CID 11682

595-28-8

Structural Information

Molecular Formula
C15H30N2O
SMILES
CC1CC(=O)C(C[N+]1(C)C)(C)[N+]2(CCCCC2)C
InChI
InChI=1S/C15H30N2O/c1-13-11-14(18)15(2,12-16(13,3)4)17(5)9-7-6-8-10-17/h13H,6-12H2,1-5H3/q+2
InChIKey
QSIWBFWQWCYEQE-UHFFFAOYSA-N
Compound name
1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.23581 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.24309 160.7
[M+Na]+ 277.22503 175.6
[M+NH4]+ 272.26963 175.1
[M+K]+ 293.19897 164.3
[M-H]- 253.22853 167.1
[M+Na-2H]- 275.21048 171.3
[M]+ 254.23526 165.8
[M]- 254.23636 165.8
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

No patent data available for this compound.