CID 132965780

2-[(2e,6s,7e,9r)-9-hydroxy-6-methoxy-3,7-dimethyldeca-2,7-dienyl]-6-methoxy-3,5-dimethylpyran-4-one

Structural Information

Molecular Formula
C21H32O5
SMILES
CC1=C(OC(=C(C1=O)C)OC)C/C=C(\C)/CC[C@@H](/C(=C/[C@@H](C)O)/C)OC
InChI
InChI=1S/C21H32O5/c1-13(8-10-18(24-6)14(2)12-15(3)22)9-11-19-16(4)20(23)17(5)21(25-7)26-19/h9,12,15,18,22H,8,10-11H2,1-7H3/b13-9+,14-12+/t15-,18+/m1/s1
InChIKey
JRYSFTQQWLHNHH-SWRHGPNJSA-N
Compound name
2-[(2E,6S,7E,9R)-9-hydroxy-6-methoxy-3,7-dimethyldeca-2,7-dienyl]-6-methoxy-3,5-dimethylpyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.22498 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.23226 189.4
[M+Na]+ 387.21420 194.7
[M-H]- 363.21770 191.9
[M+NH4]+ 382.25880 200.6
[M+K]+ 403.18814 193.3
[M+H-H2O]+ 347.22224 182.6
[M+HCOO]- 409.22318 205.2
[M+CH3COO]- 423.23883 219.9
[M+Na-2H]- 385.19965 184.4
[M]+ 364.22443 196.5
[M]- 364.22553 196.5
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

No patent data available for this compound.