CID 3070303

3-carboxy-1,1-dimethyl-4-hydroxypiperidinium iodide methyl ester

Structural Information

Molecular Formula
C9H18NO3
SMILES
C[N+]1(CCC(C(C1)C(=O)OC)O)C
InChI
InChI=1S/C9H18NO3/c1-10(2)5-4-8(11)7(6-10)9(12)13-3/h7-8,11H,4-6H2,1-3H3/q+1
InChIKey
CZTUZVOCBOMVLP-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-1,1-dimethylpiperidin-1-ium-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.12866 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13594 139.0
[M+Na]+ 211.11788 145.7
[M-H]- 187.12138 140.1
[M+NH4]+ 206.16248 159.0
[M+K]+ 227.09182 139.5
[M+H-H2O]+ 171.12592 137.1
[M+HCOO]- 233.12686 155.9
[M+CH3COO]- 247.14251 172.6
[M+Na-2H]- 209.10333 145.0
[M]+ 188.12811 135.6
[M]- 188.12921 135.6
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.