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
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 |