CID 14815777

2-azabicyclo[3.2.0]heptan-3-one

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CC2C1CC(=O)N2
InChI
InChI=1S/C6H9NO/c8-6-3-4-1-2-5(4)7-6/h4-5H,1-3H2,(H,7,8)
InChIKey
BPCPUGDYRQEWBS-UHFFFAOYSA-N
Compound name
2-azabicyclo[3.2.0]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

111.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 117.2
[M+Na]+ 134.057628 123.9
[M-H]- 110.061134 119.1
[M+NH4]+ 129.102233 134.4
[M+K]+ 150.031568 125.0
[M+H-H2O]+ 94.065670 107.8
[M+HCOO]- 156.066611 136.4
[M+CH3COO]- 170.082261 168.9
[M+Na-2H]- 132.043076 122.9
[M]+ 111.06786142 122.3
[M]- 111.06895858 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe