CID 131751033

Acrl toxin ii

Structural Information

Molecular Formula
C17H24O5
SMILES
C/C=C(\C)/C(C(C)/C=C\C(C(C)C1=CC(=CC(=O)O1)O)O)O
InChI
InChI=1S/C17H24O5/c1-5-10(2)17(21)11(3)6-7-14(19)12(4)15-8-13(18)9-16(20)22-15/h5-9,11-12,14,17-19,21H,1-4H3/b7-6-,10-5+
InChIKey
FDSYJSBLPXPUKP-JQEGGOPCSA-N
Compound name
6-[(4Z,8E)-3,7-dihydroxy-6,8-dimethyldeca-4,8-dien-2-yl]-4-hydroxypyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.16238 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16966 173.9
[M+Na]+ 331.15160 181.7
[M+NH4]+ 326.19620 177.2
[M+K]+ 347.12554 179.9
[M-H]- 307.15510 172.5
[M+Na-2H]- 329.13705 173.4
[M]+ 308.16183 174.1
[M]- 308.16293 174.1
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.