CID 40303

10-hydroxymyoporone

Structural Information

Molecular Formula
C15H22O4
SMILES
CC(C)C(C(=O)CC(C)CCC(=O)C1=COC=C1)O
InChI
InChI=1S/C15H22O4/c1-10(2)15(18)14(17)8-11(3)4-5-13(16)12-6-7-19-9-12/h6-7,9-11,15,18H,4-5,8H2,1-3H3
InChIKey
HCPDJZNVPUCXHZ-UHFFFAOYSA-N
Compound name
1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

266.1518 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.159076 167.1
[M+Na]+ 289.141018 170.5
[M-H]- 265.144524 169.1
[M+NH4]+ 284.185623 182.7
[M+K]+ 305.114958 170.6
[M+H-H2O]+ 249.149060 161.1
[M+HCOO]- 311.150001 184.1
[M+CH3COO]- 325.165651 197.6
[M+Na-2H]- 287.126466 164.1
[M]+ 266.15125142 169.7
[M]- 266.15234858 169.7
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