CID 5327035
2,3-dimethyl-6-geranylgeranyl-1,4-benzoquinol
Structural Information
- Molecular Formula
- C28H42O2
- SMILES
- CC1=C(C=C(C(=C1C)O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O
- InChI
- InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-26-19-27(29)24(6)25(7)28(26)30/h11,13,15,17,19,29-30H,8-10,12,14,16,18H2,1-7H3/b21-13+,22-15+,23-17+
- InChIKey
- QFMVWSPTQOCGTB-TUZVQDLTSA-N
- Compound name
- 2,3-dimethyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzene-1,4-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 411.32576 | 209.0 |
[M+Na]+ | 433.30770 | 211.6 |
[M-H]- | 409.31120 | 208.2 |
[M+NH4]+ | 428.35230 | 219.1 |
[M+K]+ | 449.28164 | 204.3 |
[M+H-H2O]+ | 393.31574 | 202.2 |
[M+HCOO]- | 455.31668 | 221.4 |
[M+CH3COO]- | 469.33233 | 229.5 |
[M+Na-2H]- | 431.29315 | 198.8 |
[M]+ | 410.31793 | 210.9 |
[M]- | 410.31903 | 210.9 |