CID 115440

8-ethoxydicarbonyl-3-methyl-3,8-diazabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CCOC(=O)C(=O)N1C2CCC1CN(C2)C
InChI
InChI=1S/C11H18N2O3/c1-3-16-11(15)10(14)13-8-4-5-9(13)7-12(2)6-8/h8-9H,3-7H2,1-2H3
InChIKey
RYGZSUPPVFZSGX-UHFFFAOYSA-N
Compound name
ethyl 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13174 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.139016 152.9
[M+Na]+ 249.120958 158.9
[M-H]- 225.124464 152.5
[M+NH4]+ 244.165563 171.9
[M+K]+ 265.094898 157.9
[M+H-H2O]+ 209.129000 146.5
[M+HCOO]- 271.129941 167.8
[M+CH3COO]- 285.145591 189.3
[M+Na-2H]- 247.106406 153.9
[M]+ 226.13119142 152.5
[M]- 226.13228858 152.5
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.