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]+ 265.143446 156.8
[M+Na]+ 287.125388 164.7
[M-H]- 263.128894 162.6
[M+NH4]+ 282.169993 180.8
[M+K]+ 303.099328 162.9
[M+H-H2O]+ 247.133430 153.5
[M+HCOO]- 309.134371 169.2
[M+CH3COO]- 323.150021 168.9
[M+Na-2H]- 285.110836 160.5
[M]+ 264.13562142 156.6
[M]- 264.13671858 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.