CID 6478027

Litseaverticillol d

Structural Information

Molecular Formula
C15H22O3
SMILES
CC1=C[C@@H]([C@H](C1=O)/C=C(\C)/C/C=C/C(C)(C)O)O
InChI
InChI=1S/C15H22O3/c1-10(6-5-7-15(3,4)18)8-12-13(16)9-11(2)14(12)17/h5,7-9,12-13,16,18H,6H2,1-4H3/b7-5+,10-8+/t12-,13+/m1/s1
InChIKey
BYCYEWSQFFBUSU-AYJMRYRBSA-N
Compound name
(4S,5R)-4-hydroxy-5-[(1E,4E)-6-hydroxy-2,6-dimethylhepta-1,4-dienyl]-2-methylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.15689 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 160.4
[M+Na]+ 273.14611 167.1
[M-H]- 249.14961 161.3
[M+NH4]+ 268.19071 178.8
[M+K]+ 289.12005 163.1
[M+H-H2O]+ 233.15415 156.3
[M+HCOO]- 295.15509 177.9
[M+CH3COO]- 309.17074 191.6
[M+Na-2H]- 271.13156 159.2
[M]+ 250.15634 160.1
[M]- 250.15744 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.