CID 20078048

7-azabicyclo[4.1.1]octane hydrochloride

Structural Information

Molecular Formula
C7H13N
SMILES
C1CCC2CC(C1)N2
InChI
InChI=1S/C7H13N/c1-2-4-7-5-6(3-1)8-7/h6-8H,1-5H2
InChIKey
BKLRNFLARDHBOG-UHFFFAOYSA-N
Compound name
7-azabicyclo[4.1.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
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 114.4
[M+Na]+ 134.09402 116.4
[M+NH4]+ 129.13862 119.2
[M+K]+ 150.06796 116.6
[M-H]- 110.09752 110.6
[M+Na-2H]- 132.07947 113.7
[M]+ 111.10425 112.7
[M]- 111.10535 112.7
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

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