CID 3024590

1-methyl-1-(5-methyl-3-oxo-4-hexenyl)piperidinium iodide

Structural Information

Molecular Formula
C13H24NO
SMILES
CC(=CC(=O)CC[N+]1(CCCCC1)C)C
InChI
InChI=1S/C13H24NO/c1-12(2)11-13(15)7-10-14(3)8-5-4-6-9-14/h11H,4-10H2,1-3H3/q+1
InChIKey
WSUHADKOUIZNPR-UHFFFAOYSA-N
Compound name
5-methyl-1-(1-methylpiperidin-1-ium-1-yl)hex-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.18579 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.19307 150.9
[M+Na]+ 233.17501 154.5
[M-H]- 209.17851 152.0
[M+NH4]+ 228.21961 169.9
[M+K]+ 249.14895 147.2
[M+H-H2O]+ 193.18305 147.7
[M+HCOO]- 255.18399 166.7
[M+CH3COO]- 269.19964 181.1
[M+Na-2H]- 231.16046 155.0
[M]+ 210.18524 145.7
[M]- 210.18634 145.7
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.