CID 58321

Ethyl 3-quinuclidinyl carbonate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CCOC(=O)OC1CN2CCC1CC2
InChI
InChI=1S/C10H17NO3/c1-2-13-10(12)14-9-7-11-5-3-8(9)4-6-11/h8-9H,2-7H2,1H3
InChIKey
AEHHEWLGTKWBQI-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

199.12085 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 143.4
[M+Na]+ 222.11007 146.9
[M-H]- 198.11357 138.4
[M+NH4]+ 217.15467 165.7
[M+K]+ 238.08401 146.4
[M+H-H2O]+ 182.11811 138.1
[M+HCOO]- 244.11905 153.7
[M+CH3COO]- 258.13470 188.2
[M+Na-2H]- 220.09552 153.3
[M]+ 199.12030 146.3
[M]- 199.12140 146.3
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

patents stripe