CID 422966

1,1-dimethyl-4-oxopiperidin-1-ium iodide

Structural Information

Molecular Formula
C7H14NO
SMILES
C[N+]1(CCC(=O)CC1)C
InChI
InChI=1S/C7H14NO/c1-8(2)5-3-7(9)4-6-8/h3-6H2,1-2H3/q+1
InChIKey
XFTOTHNHXWGHQR-UHFFFAOYSA-N
Compound name
1,1-dimethylpiperidin-1-ium-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

128.10754 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.11482 123.5
[M+Na]+ 151.09676 130.8
[M-H]- 127.10026 126.0
[M+NH4]+ 146.14136 146.4
[M+K]+ 167.07070 124.7
[M+H-H2O]+ 111.10480 121.5
[M+HCOO]- 173.10574 143.2
[M+CH3COO]- 187.12139 164.2
[M+Na-2H]- 149.08221 132.7
[M]+ 128.10699 118.7
[M]- 128.10809 118.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe