CID 16205938
Ns00039904
Structural Information
- Molecular Formula
- C13H22O
- SMILES
- CC1=C(CC2COC(CC2C1)(C)C)C
- InChI
- InChI=1S/C13H22O/c1-9-5-11-7-13(3,4)14-8-12(11)6-10(9)2/h11-12H,5-8H2,1-4H3
- InChIKey
- RZLXGTKIGFFSMN-UHFFFAOYSA-N
- Compound name
- 3,3,6,7-tetramethyl-1,4,4a,5,8,8a-hexahydroisochromene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 195.17435 | 144.0 |
[M+Na]+ | 217.15629 | 151.0 |
[M-H]- | 193.15979 | 148.9 |
[M+NH4]+ | 212.20089 | 166.0 |
[M+K]+ | 233.13023 | 150.0 |
[M+H-H2O]+ | 177.16433 | 139.0 |
[M+HCOO]- | 239.16527 | 160.7 |
[M+CH3COO]- | 253.18092 | 187.2 |
[M+Na-2H]- | 215.14174 | 149.4 |
[M]+ | 194.16652 | 141.9 |
[M]- | 194.16762 | 141.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.