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]+ 126.091336 121.3
[M+Na]+ 148.073278 126.9
[M-H]- 124.076784 122.6
[M+NH4]+ 143.117883 136.1
[M+K]+ 164.047218 128.0
[M+H-H2O]+ 108.081320 111.1
[M+HCOO]- 170.082261 138.1
[M+CH3COO]- 184.097911 172.1
[M+Na-2H]- 146.058726 128.0
[M]+ 125.08351142 124.7
[M]- 125.08460858 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