CID 549080

7-azabicyclo[4.2.0]octan-8-one

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CCC2C(C1)C(=O)N2
InChI
InChI=1S/C7H11NO/c9-7-5-3-1-2-4-6(5)8-7/h5-6H,1-4H2,(H,8,9)
InChIKey
SQHJLZVUXVHXKC-UHFFFAOYSA-N
Compound name
7-azabicyclo[4.2.0]octan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

125.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 121.3
[M+Na]+ 148.07328 126.9
[M-H]- 124.07678 122.6
[M+NH4]+ 143.11788 136.1
[M+K]+ 164.04722 128.0
[M+H-H2O]+ 108.08132 111.1
[M+HCOO]- 170.08226 138.1
[M+CH3COO]- 184.09791 172.1
[M+Na-2H]- 146.05873 128.0
[M]+ 125.08351 124.7
[M]- 125.08461 124.7
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