CID 55299554

Akos006378057

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CC2CC2C(=O)NC1
InChI
InChI=1S/C7H11NO/c9-7-6-4-5(6)2-1-3-8-7/h5-6H,1-4H2,(H,8,9)
InChIKey
DVWHSXMLXWOZGV-UHFFFAOYSA-N
Compound name
3-azabicyclo[5.1.0]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 120.3
[M+Na]+ 148.07328 127.2
[M-H]- 124.07678 123.8
[M+NH4]+ 143.11788 135.5
[M+K]+ 164.04722 128.1
[M+H-H2O]+ 108.08132 114.8
[M+HCOO]- 170.08226 138.3
[M+CH3COO]- 184.09791 132.5
[M+Na-2H]- 146.05873 127.2
[M]+ 125.08351 115.9
[M]- 125.08461 115.9
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.