CID 58866062

D-tocol

Structural Information

Molecular Formula
C26H44O2
SMILES
C[C@@H](CCC[C@@H](C)CCC[C@@]1(CCC2=C(O1)C=CC(=C2)O)C)CCCC(C)C
InChI
InChI=1S/C26H44O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h14-15,19-22,27H,6-13,16-18H2,1-5H3/t21-,22-,26-/m1/s1
InChIKey
DFUSDJMZWQVQSF-XLGIIRLISA-N
Compound name
(2R)-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5902
Patents

388.33414 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.34142 206.4
[M+Na]+ 411.32336 207.3
[M-H]- 387.32686 207.5
[M+NH4]+ 406.36796 218.9
[M+K]+ 427.29730 204.0
[M+H-H2O]+ 371.33140 199.0
[M+HCOO]- 433.33234 216.9
[M+CH3COO]- 447.34799 226.1
[M+Na-2H]- 409.30881 203.0
[M]+ 388.33359 208.8
[M]- 388.33469 208.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe