CID 29082126

Rac-(1r,6r)-7-azabicyclo[4.2.0]octane

Structural Information

Molecular Formula
C7H13N
SMILES
C1CC[C@@H]2[C@H](C1)CN2
InChI
InChI=1S/C7H13N/c1-2-4-7-6(3-1)5-8-7/h6-8H,1-5H2/t6-,7-/m1/s1
InChIKey
OQDPEXFDRKDVPE-RNFRBKRXSA-N
Compound name
(1R,6R)-7-azabicyclo[4.2.0]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 119.3
[M+Na]+ 134.09402 123.8
[M-H]- 110.09752 120.2
[M+NH4]+ 129.13862 134.5
[M+K]+ 150.06796 125.0
[M+H-H2O]+ 94.102060 108.9
[M+HCOO]- 156.10300 135.7
[M+CH3COO]- 170.11865 169.9
[M+Na-2H]- 132.07947 126.7
[M]+ 111.10425 121.5
[M]- 111.10535 121.5
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.