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]+ 156.138286 135.7
[M+Na]+ 178.120228 141.2
[M-H]- 154.123734 135.0
[M+NH4]+ 173.164833 158.1
[M+K]+ 194.094168 138.9
[M+H-H2O]+ 138.128270 130.2
[M+HCOO]- 200.129211 152.2
[M+CH3COO]- 214.144861 174.6
[M+Na-2H]- 176.105676 140.2
[M]+ 155.13046142 131.7
[M]- 155.13155858 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