CID 9236

2-azabicyclo[2.2.2]octane

Structural Information

Molecular Formula
C7H13N
SMILES
C1CC2CCC1CN2
InChI
InChI=1S/C7H13N/c1-3-7-4-2-6(1)5-8-7/h6-8H,1-5H2
InChIKey
KPUSZZFAYGWAHZ-UHFFFAOYSA-N
Compound name
2-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

5424
Patents

111.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 121.4
[M+Na]+ 134.09402 125.3
[M-H]- 110.09752 115.5
[M+NH4]+ 129.13862 146.5
[M+K]+ 150.06796 123.1
[M+H-H2O]+ 94.102060 117.0
[M+HCOO]- 156.10300 131.8
[M+CH3COO]- 170.11865 132.3
[M+Na-2H]- 132.07947 134.1
[M]+ 111.10425 118.4
[M]- 111.10535 118.4
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