CID 3599405
Di-tert-butylcyclopentadiene
Structural Information
- Molecular Formula
- C13H22
- SMILES
- CC(C)(C)C1C=CC(=C1)C(C)(C)C
- InChI
- InChI=1S/C13H22/c1-12(2,3)10-7-8-11(9-10)13(4,5)6/h7-10H,1-6H3
- InChIKey
- RADVPPBTEASJRZ-UHFFFAOYSA-N
- Compound name
- 2,5-ditert-butylcyclopenta-1,3-diene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 179.17943 | 143.2 |
[M+Na]+ | 201.16137 | 151.0 |
[M-H]- | 177.16487 | 147.2 |
[M+NH4]+ | 196.20597 | 166.1 |
[M+K]+ | 217.13531 | 149.3 |
[M+H-H2O]+ | 161.16941 | 139.2 |
[M+HCOO]- | 223.17035 | 164.1 |
[M+CH3COO]- | 237.18600 | 184.4 |
[M+Na-2H]- | 199.14682 | 148.0 |
[M]+ | 178.17160 | 144.6 |
[M]- | 178.17270 | 144.6 |
Literature stripe
No literature data available for this compound.