CID 155970619

2639439-56-6

Structural Information

Molecular Formula
C9H16N2O2
SMILES
COC(=O)CN1CC2CCC1CN2
InChI
InChI=1S/C9H16N2O2/c1-13-9(12)6-11-5-7-2-3-8(11)4-10-7/h7-8,10H,2-6H2,1H3
InChIKey
DAURMIBQGXWZRY-UHFFFAOYSA-N
Compound name
methyl 2-(2,5-diazabicyclo[2.2.2]octan-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 141.3
[M+Na]+ 207.11041 145.0
[M-H]- 183.11391 133.7
[M+NH4]+ 202.15501 162.1
[M+K]+ 223.08435 143.3
[M+H-H2O]+ 167.11845 135.7
[M+HCOO]- 229.11939 149.0
[M+CH3COO]- 243.13504 150.4
[M+Na-2H]- 205.09586 151.2
[M]+ 184.12064 141.3
[M]- 184.12174 141.3
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.