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 174.2
[M+Na]+ 331.15160 178.2
[M-H]- 307.15510 173.9
[M+NH4]+ 326.19620 185.5
[M+K]+ 347.12554 176.4
[M+H-H2O]+ 291.15964 168.0
[M+HCOO]- 353.16058 187.3
[M+CH3COO]- 367.17623 201.8
[M+Na-2H]- 329.13705 170.1
[M]+ 308.16183 174.6
[M]- 308.16293 174.6
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.