CID 416065

Methyl n-methylnipecotate methobromide

Structural Information

Molecular Formula
C9H18NO2
SMILES
C[N+]1(CCCC(C1)C(=O)OC)C
InChI
InChI=1S/C9H18NO2/c1-10(2)6-4-5-8(7-10)9(11)12-3/h8H,4-7H2,1-3H3/q+1
InChIKey
WFSQXVBGPAYCDP-UHFFFAOYSA-N
Compound name
methyl 1,1-dimethylpiperidin-1-ium-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

597
References

0
Patents

172.13376 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.141036 136.2
[M+Na]+ 195.122978 142.4
[M-H]- 171.126484 138.4
[M+NH4]+ 190.167583 157.3
[M+K]+ 211.096918 136.7
[M+H-H2O]+ 155.131020 133.8
[M+HCOO]- 217.131961 154.4
[M+CH3COO]- 231.147611 172.2
[M+Na-2H]- 193.108426 143.2
[M]+ 172.13321142 132.8
[M]- 172.13430858 132.8
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.