CID 7527

Quinuclidine

Structural Information

Molecular Formula
C7H13N
SMILES
C1CN2CCC1CC2
InChI
InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2
InChIKey
SBYHFKPVCBCYGV-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2844
References

99611
Patents

111.1048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 120.9
[M+Na]+ 134.09402 125.0
[M-H]- 110.09752 116.3
[M+NH4]+ 129.13862 146.6
[M+K]+ 150.06796 123.7
[M+H-H2O]+ 94.102060 116.0
[M+HCOO]- 156.10300 132.6
[M+CH3COO]- 170.11865 132.3
[M+Na-2H]- 132.07947 133.9
[M]+ 111.10425 119.5
[M]- 111.10535 119.5
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