CID 6473812

Litseaverticillol a

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1=C[C@@H]([C@H](C1=O)/C=C(\C)/CCC=C(C)C)O
InChI
InChI=1S/C15H22O2/c1-10(2)6-5-7-11(3)8-13-14(16)9-12(4)15(13)17/h6,8-9,13-14,16H,5,7H2,1-4H3/b11-8+/t13-,14+/m1/s1
InChIKey
IRYFKBHIOJHFLA-GELOPOQCSA-N
Compound name
(4S,5R)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-hydroxy-2-methylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

234.16199 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 157.5
[M+Na]+ 257.15121 164.1
[M-H]- 233.15471 159.5
[M+NH4]+ 252.19581 177.1
[M+K]+ 273.12515 160.3
[M+H-H2O]+ 217.15925 152.6
[M+HCOO]- 279.16019 176.8
[M+CH3COO]- 293.17584 192.5
[M+Na-2H]- 255.13666 154.4
[M]+ 234.16144 157.4
[M]- 234.16254 157.4
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.