CID 112498

62581-23-1

Structural Information

Molecular Formula
C11H20NO2
SMILES
CCOC(=O)C1CC2CC[N+]1(CC2)C
InChI
InChI=1S/C11H20NO2/c1-3-14-11(13)10-8-9-4-6-12(10,2)7-5-9/h9-10H,3-8H2,1-2H3/q+1
InChIKey
ZIXRUPLNOISMNB-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1494 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.15668 144.2
[M+Na]+ 221.13862 148.2
[M-H]- 197.14212 139.7
[M+NH4]+ 216.18322 168.4
[M+K]+ 237.11256 141.3
[M+H-H2O]+ 181.14666 141.7
[M+HCOO]- 243.14760 153.5
[M+CH3COO]- 257.16325 182.6
[M+Na-2H]- 219.12407 156.4
[M]+ 198.14885 144.6
[M]- 198.14995 144.6
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.