CID 3038582

1,1-dimethyl-4-(hydroxymethyl)piperidinium iodide acetate

Structural Information

Molecular Formula
C10H20NO2
SMILES
CC(=O)OCC1CC[N+](CC1)(C)C
InChI
InChI=1S/C10H20NO2/c1-9(12)13-8-10-4-6-11(2,3)7-5-10/h10H,4-8H2,1-3H3/q+1
InChIKey
HUXVCNRIXLFHST-UHFFFAOYSA-N
Compound name
(1,1-dimethylpiperidin-1-ium-4-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1494 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.15668 140.9
[M+Na]+ 209.13862 146.6
[M-H]- 185.14212 142.8
[M+NH4]+ 204.18322 161.4
[M+K]+ 225.11256 140.7
[M+H-H2O]+ 169.14666 138.2
[M+HCOO]- 231.14760 158.8
[M+CH3COO]- 245.16325 175.3
[M+Na-2H]- 207.12407 147.3
[M]+ 186.14885 137.8
[M]- 186.14995 137.8
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.