CID 14433040

Marasmen-3-one

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1(C2CC=C3COC4C3C2(CCC1=O)CO4)C
InChI
InChI=1S/C15H20O3/c1-14(2)10-4-3-9-7-17-13-12(9)15(10,8-18-13)6-5-11(14)16/h3,10,12-13H,4-8H2,1-2H3
InChIKey
WLRHPKXUDFBEPM-UHFFFAOYSA-N
Compound name
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

1
Patents

248.14125 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 154.5
[M+Na]+ 271.13047 164.3
[M+NH4]+ 266.17507 167.3
[M+K]+ 287.10441 158.6
[M-H]- 247.13397 159.1
[M+Na-2H]- 269.11592 156.8
[M]+ 248.14070 157.5
[M]- 248.14180 157.5
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

patents stripe