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
2
Annotation Hits

594
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]+ 173.14104 137.4
[M+Na]+ 195.12298 150.0
[M+NH4]+ 190.16758 148.0
[M+K]+ 211.09692 143.3
[M-H]- 171.12648 140.0
[M+Na-2H]- 193.10843 144.3
[M]+ 172.13321 140.3
[M]- 172.13431 140.3
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.