CID 4451081

624726-34-7

Structural Information

Molecular Formula
C10H18NO2
SMILES
C[N+]12CCC(CC1)C(C2)C(=O)OC
InChI
InChI=1S/C10H18NO2/c1-11-5-3-8(4-6-11)9(7-11)10(12)13-2/h8-9H,3-7H2,1-2H3/q+1
InChIKey
BKJGNKLGBXHKTH-UHFFFAOYSA-N
Compound name
methyl 1-methyl-1-azoniabicyclo[2.2.2]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.13376 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.14104 139.4
[M+Na]+ 207.12298 143.9
[M-H]- 183.12648 135.1
[M+NH4]+ 202.16758 164.2
[M+K]+ 223.09692 137.2
[M+H-H2O]+ 167.13102 137.1
[M+HCOO]- 229.13196 149.1
[M+CH3COO]- 243.14761 179.7
[M+Na-2H]- 205.10843 152.2
[M]+ 184.13321 139.5
[M]- 184.13431 139.5
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.