CID 115440

63977-71-9

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]+ 227.13902 152.9
[M+Na]+ 249.12096 158.9
[M-H]- 225.12446 152.5
[M+NH4]+ 244.16556 171.9
[M+K]+ 265.09490 157.9
[M+H-H2O]+ 209.12900 146.5
[M+HCOO]- 271.12994 167.8
[M+CH3COO]- 285.14559 189.3
[M+Na-2H]- 247.10641 153.9
[M]+ 226.13119 152.5
[M]- 226.13229 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.