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 156.3
[M+Na]+ 277.22503 161.8
[M-H]- 253.22853 160.0
[M+NH4]+ 272.26963 176.2
[M+K]+ 293.19897 149.1
[M+H-H2O]+ 237.23307 155.0
[M+HCOO]- 299.23401 168.5
[M+CH3COO]- 313.24966 183.9
[M+Na-2H]- 275.21048 164.0
[M]+ 254.23526 148.0
[M]- 254.23636 148.0
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.