CID 21972
Perhydrofluorene
Structural Information
- Molecular Formula
- C13H22
- SMILES
- C1CCC2C(C1)CC3C2CCCC3
- InChI
- InChI=1S/C13H22/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h10-13H,1-9H2
- InChIKey
- OLWAZOBRCQWWDB-UHFFFAOYSA-N
- Compound name
- 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 179.17943 | 142.9 |
[M+Na]+ | 201.16137 | 146.0 |
[M-H]- | 177.16487 | 146.2 |
[M+NH4]+ | 196.20597 | 166.3 |
[M+K]+ | 217.13531 | 142.6 |
[M+H-H2O]+ | 161.16941 | 137.0 |
[M+HCOO]- | 223.17035 | 157.7 |
[M+CH3COO]- | 237.18600 | 153.9 |
[M+Na-2H]- | 199.14682 | 145.4 |
[M]+ | 178.17160 | 133.9 |
[M]- | 178.17270 | 133.9 |