CID 101750128

Hydrolyzed zearalenone

Structural Information

Molecular Formula
C18H24O6
SMILES
C[C@@H](CCCC(=O)CCC/C=C/C1=C(C(=CC(=C1)O)O)C(=O)O)O
InChI
InChI=1S/C18H24O6/c1-12(19)6-5-9-14(20)8-4-2-3-7-13-10-15(21)11-16(22)17(13)18(23)24/h3,7,10-12,19,21-22H,2,4-6,8-9H2,1H3,(H,23,24)/b7-3+/t12-/m0/s1
InChIKey
KZABMNZGZHPCFB-QBODLPLBSA-N
Compound name
2,4-dihydroxy-6-[(E,10S)-10-hydroxy-6-oxoundec-1-enyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

336.1573 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16458 179.6
[M+Na]+ 359.14652 183.7
[M-H]- 335.15002 177.1
[M+NH4]+ 354.19112 190.5
[M+K]+ 375.12046 179.7
[M+H-H2O]+ 319.15456 173.2
[M+HCOO]- 381.15550 193.9
[M+CH3COO]- 395.17115 204.4
[M+Na-2H]- 357.13197 175.6
[M]+ 336.15675 181.0
[M]- 336.15785 181.0
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

patents stripe