CID 112756675

3-ethoxy-8-azabicyclo[3.2.1]octane

Structural Information

Molecular Formula
C9H17NO
SMILES
CCOC1CC2CCC(C1)N2
InChI
InChI=1S/C9H17NO/c1-2-11-9-5-7-3-4-8(6-9)10-7/h7-10H,2-6H2,1H3
InChIKey
NTPOQVVCLCXFAR-UHFFFAOYSA-N
Compound name
3-ethoxy-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 135.7
[M+Na]+ 178.12023 141.2
[M-H]- 154.12373 135.0
[M+NH4]+ 173.16483 158.1
[M+K]+ 194.09417 138.9
[M+H-H2O]+ 138.12827 130.2
[M+HCOO]- 200.12921 152.2
[M+CH3COO]- 214.14486 174.6
[M+Na-2H]- 176.10568 140.2
[M]+ 155.13046 131.7
[M]- 155.13156 131.7
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