CID 3032926

1-azabicyclo(4.2.0)octane, (r)-

Structural Information

Molecular Formula
C7H13N
SMILES
C1CCN2CC[C@H]2C1
InChI
InChI=1S/C7H13N/c1-2-5-8-6-4-7(8)3-1/h7H,1-6H2/t7-/m1/s1
InChIKey
JTATVNVLVDZAGB-SSDOTTSWSA-N
Compound name
(6R)-1-azabicyclo[4.2.0]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

111.1048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 120.1
[M+Na]+ 134.09402 127.1
[M+NH4]+ 129.13862 126.4
[M+K]+ 150.06796 122.5
[M-H]- 110.09752 119.6
[M+Na-2H]- 132.07947 123.3
[M]+ 111.10425 119.7
[M]- 111.10535 119.7
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

No patent data available for this compound.