CID 3070303

86343-58-0

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]+ 189.135936 139.0
[M+Na]+ 211.117878 145.7
[M-H]- 187.121384 140.1
[M+NH4]+ 206.162483 159.0
[M+K]+ 227.091818 139.5
[M+H-H2O]+ 171.125920 137.1
[M+HCOO]- 233.126861 155.9
[M+CH3COO]- 247.142511 172.6
[M+Na-2H]- 209.103326 145.0
[M]+ 188.12811142 135.6
[M]- 188.12920858 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.