CID 118724
6-(1,1,3,3-tetramethylbutyl)-2-tert-butyl-4-cresol
Structural Information
- Molecular Formula
- C19H32O
- SMILES
- CC1=CC(=C(C(=C1)C(C)(C)CC(C)(C)C)O)C(C)(C)C
- InChI
- InChI=1S/C19H32O/c1-13-10-14(18(5,6)7)16(20)15(11-13)19(8,9)12-17(2,3)4/h10-11,20H,12H2,1-9H3
- InChIKey
- ICDQZCSOHYBOQA-UHFFFAOYSA-N
- Compound name
- 2-tert-butyl-4-methyl-6-(2,4,4-trimethylpentan-2-yl)phenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 277.25261 | 168.3 |
[M+Na]+ | 299.23455 | 175.3 |
[M-H]- | 275.23805 | 171.0 |
[M+NH4]+ | 294.27915 | 185.3 |
[M+K]+ | 315.20849 | 172.5 |
[M+H-H2O]+ | 259.24259 | 164.0 |
[M+HCOO]- | 321.24353 | 183.6 |
[M+CH3COO]- | 335.25918 | 204.6 |
[M+Na-2H]- | 297.22000 | 171.7 |
[M]+ | 276.24478 | 171.1 |
[M]- | 276.24588 | 171.1 |
Literature stripe
No literature data available for this compound.