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]+ 142.08626 124.0
[M+Na]+ 164.06820 129.2
[M-H]- 140.07170 125.8
[M+NH4]+ 159.11280 144.1
[M+K]+ 180.04214 131.1
[M+H-H2O]+ 124.07624 119.3
[M+HCOO]- 186.07718 140.3
[M+CH3COO]- 200.09283 136.3
[M+Na-2H]- 162.05365 130.3
[M]+ 141.07843 117.8
[M]- 141.07953 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.