CID 549419

6-azabicyclo[3.2.1]octane

Structural Information

Molecular Formula
C7H13N
SMILES
C1CC2CC(C1)NC2
InChI
InChI=1S/C7H13N/c1-2-6-4-7(3-1)8-5-6/h6-8H,1-5H2
InChIKey
VJPPDEZWWKCSIV-UHFFFAOYSA-N
Compound name
6-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1869
Patents

111.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 123.5
[M+Na]+ 134.094018 129.0
[M-H]- 110.097524 122.8
[M+NH4]+ 129.138623 147.4
[M+K]+ 150.067958 126.8
[M+H-H2O]+ 94.102060 118.2
[M+HCOO]- 156.103001 140.6
[M+CH3COO]- 170.118651 135.9
[M+Na-2H]- 132.079466 129.8
[M]+ 111.10425142 117.0
[M]- 111.10534858 117.0
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