CID 11336823

Sargachromanol a

Structural Information

Molecular Formula
C22H30O3
SMILES
CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/C=O)O
InChI
InChI=1S/C22H30O3/c1-16(7-5-8-17(2)15-23)9-6-11-22(4)12-10-19-14-20(24)13-18(3)21(19)25-22/h8-9,13-15,24H,5-7,10-12H2,1-4H3/b16-9+,17-8+/t22-/m1/s1
InChIKey
ZOWAKKPZMKIVST-PSMGVCQDSA-N
Compound name
(2E,6E)-9-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6-dimethylnona-2,6-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

342.21948 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.22676 186.4
[M+Na]+ 365.20870 197.0
[M+NH4]+ 360.25330 193.9
[M+K]+ 381.18264 188.1
[M-H]- 341.21220 188.4
[M+Na-2H]- 363.19415 189.0
[M]+ 342.21893 188.5
[M]- 342.22003 188.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe