CID 14433056

15-hydroxymarasmen-3-one

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1(C2CC=C3COC4C3C2(CCC1=O)C(O4)O)C
InChI
InChI=1S/C15H20O4/c1-14(2)9-4-3-8-7-18-12-11(8)15(9,13(17)19-12)6-5-10(14)16/h3,9,11-13,17H,4-7H2,1-2H3
InChIKey
HFEYLLLUTJYNMH-UHFFFAOYSA-N
Compound name
14-hydroxy-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 156.8
[M+Na]+ 287.12539 164.7
[M-H]- 263.12889 162.6
[M+NH4]+ 282.16999 180.8
[M+K]+ 303.09933 162.9
[M+H-H2O]+ 247.13343 153.5
[M+HCOO]- 309.13437 169.2
[M+CH3COO]- 323.15002 168.9
[M+Na-2H]- 285.11084 160.5
[M]+ 264.13562 156.6
[M]- 264.13672 156.6
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.