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]+ 185.128466 141.3
[M+Na]+ 207.110408 145.0
[M-H]- 183.113914 133.7
[M+NH4]+ 202.155013 162.1
[M+K]+ 223.084348 143.3
[M+H-H2O]+ 167.118450 135.7
[M+HCOO]- 229.119391 149.0
[M+CH3COO]- 243.135041 150.4
[M+Na-2H]- 205.095856 151.2
[M]+ 184.12064142 141.3
[M]- 184.12173858 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.