CID 121552287

Methyl 6-cyano-2-azabicyclo[2.2.2]octane-2-carboxylate

Structural Information

Molecular Formula
C10H14N2O2
SMILES
COC(=O)N1CC2CCC1C(C2)C#N
InChI
InChI=1S/C10H14N2O2/c1-14-10(13)12-6-7-2-3-9(12)8(4-7)5-11/h7-9H,2-4,6H2,1H3
InChIKey
PEOTWIGAGRITRR-UHFFFAOYSA-N
Compound name
methyl 6-cyano-2-azabicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 142.2
[M+Na]+ 217.09475 150.2
[M-H]- 193.09825 138.7
[M+NH4]+ 212.13935 162.9
[M+K]+ 233.06869 144.4
[M+H-H2O]+ 177.10279 131.8
[M+HCOO]- 239.10373 150.5
[M+CH3COO]- 253.11938 151.7
[M+Na-2H]- 215.08020 151.0
[M]+ 194.10498 139.2
[M]- 194.10608 139.2
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.