CID 47945

Dihydro-7-hydroxymyoporone

Structural Information

Molecular Formula
C15H24O4
SMILES
CC(C)C(C(CC(C)CCC(=O)C1=COC=C1)O)O
InChI
InChI=1S/C15H24O4/c1-10(2)15(18)14(17)8-11(3)4-5-13(16)12-6-7-19-9-12/h6-7,9-11,14-15,17-18H,4-5,8H2,1-3H3
InChIKey
PRLJTIPWGNRUNG-UHFFFAOYSA-N
Compound name
1-(furan-3-yl)-6,7-dihydroxy-4,8-dimethylnonan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

268.16745 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17473 169.1
[M+Na]+ 291.15667 171.8
[M-H]- 267.16017 169.7
[M+NH4]+ 286.20127 184.0
[M+K]+ 307.13061 171.7
[M+H-H2O]+ 251.16471 163.2
[M+HCOO]- 313.16565 184.5
[M+CH3COO]- 327.18130 196.0
[M+Na-2H]- 289.14212 165.6
[M]+ 268.16690 170.5
[M]- 268.16800 170.5
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.