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

596
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 136.2
[M+Na]+ 195.12298 142.4
[M-H]- 171.12648 138.4
[M+NH4]+ 190.16758 157.3
[M+K]+ 211.09692 136.7
[M+H-H2O]+ 155.13102 133.8
[M+HCOO]- 217.13196 154.4
[M+CH3COO]- 231.14761 172.2
[M+Na-2H]- 193.10843 143.2
[M]+ 172.13321 132.8
[M]- 172.13431 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.