CID 2736953

54954-73-3

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)C1CN2CCC1CC2
InChI
InChI=1S/C9H15NO2/c1-12-9(11)8-6-10-4-2-7(8)3-5-10/h7-8H,2-6H2,1H3
InChIKey
RSOWDTALVBLZPE-UHFFFAOYSA-N
Compound name
methyl 1-azabicyclo[2.2.2]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

111
Patents

169.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 136.1
[M+Na]+ 192.09950 140.1
[M-H]- 168.10300 131.4
[M+NH4]+ 187.14410 159.6
[M+K]+ 208.07344 139.2
[M+H-H2O]+ 152.10754 131.1
[M+HCOO]- 214.10848 146.5
[M+CH3COO]- 228.12413 146.6
[M+Na-2H]- 190.08495 146.4
[M]+ 169.10973 137.3
[M]- 169.11083 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe