CID 3024459

1-(3-hydroxypropyl)-1,2,6-trimethylpiperidinium iodide

Structural Information

Molecular Formula
C11H24NO
SMILES
CC1CCCC([N+]1(C)CCCO)C
InChI
InChI=1S/C11H24NO/c1-10-6-4-7-11(2)12(10,3)8-5-9-13/h10-11,13H,4-9H2,1-3H3/q+1
InChIKey
DJXYPTWSJYRDPB-UHFFFAOYSA-N
Compound name
3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.18579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.19307 143.1
[M+Na]+ 209.17501 148.9
[M-H]- 185.17851 143.8
[M+NH4]+ 204.21961 163.4
[M+K]+ 225.14895 141.5
[M+H-H2O]+ 169.18305 140.8
[M+HCOO]- 231.18399 159.8
[M+CH3COO]- 245.19964 175.7
[M+Na-2H]- 207.16046 149.0
[M]+ 186.18524 138.9
[M]- 186.18634 138.9
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

No patent data available for this compound.