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

3
Patents

234.16199 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 152.6
[M+Na]+ 257.151208 159.1
[M-H]- 233.154714 159.1
[M+NH4]+ 252.195813 178.1
[M+K]+ 273.125148 157.5
[M+H-H2O]+ 217.159250 148.0
[M+HCOO]- 279.160191 166.1
[M+CH3COO]- 293.175841 164.9
[M+Na-2H]- 255.136656 156.9
[M]+ 234.16144142 150.9
[M]- 234.16253858 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

patents stripe