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]+ 235.169266 157.5
[M+Na]+ 257.151208 164.1
[M-H]- 233.154714 159.5
[M+NH4]+ 252.195813 177.1
[M+K]+ 273.125148 160.3
[M+H-H2O]+ 217.159250 152.6
[M+HCOO]- 279.160191 176.8
[M+CH3COO]- 293.175841 192.5
[M+Na-2H]- 255.136656 154.4
[M]+ 234.16144142 157.4
[M]- 234.16253858 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.