CID 14433071

Marasmene

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1(CCC[C@@]23[C@H]1CC=C4[C@@H]2[C@H](OC4)OC3)C
InChI
InChI=1S/C15H22O2/c1-14(2)6-3-7-15-9-17-13-12(15)10(8-16-13)4-5-11(14)15/h4,11-13H,3,5-9H2,1-2H3/t11-,12+,13+,15+/m0/s1
InChIKey
VPPKLPHBKTZWEF-KYEXWDHISA-N
Compound name
(1R,6S,12R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 152.6
[M+Na]+ 257.15121 159.1
[M-H]- 233.15471 159.1
[M+NH4]+ 252.19581 178.1
[M+K]+ 273.12515 157.5
[M+H-H2O]+ 217.15925 148.0
[M+HCOO]- 279.16019 166.1
[M+CH3COO]- 293.17584 164.9
[M+Na-2H]- 255.13666 156.9
[M]+ 234.16144 150.9
[M]- 234.16254 150.9
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.