CID 55287860

9-oxa-3-azabicyclo[4.2.1]nonan-4-one

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1CC2CNC(=O)CC1O2
InChI
InChI=1S/C7H11NO2/c9-7-3-5-1-2-6(10-5)4-8-7/h5-6H,1-4H2,(H,8,9)
InChIKey
MBHRDVAZLPWLJP-UHFFFAOYSA-N
Compound name
9-oxa-3-azabicyclo[4.2.1]nonan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 124.0
[M+Na]+ 164.068198 129.2
[M-H]- 140.071704 125.8
[M+NH4]+ 159.112803 144.1
[M+K]+ 180.042138 131.1
[M+H-H2O]+ 124.076240 119.3
[M+HCOO]- 186.077181 140.3
[M+CH3COO]- 200.092831 136.3
[M+Na-2H]- 162.053646 130.3
[M]+ 141.07843142 117.8
[M]- 141.07952858 117.8
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.