CID 13990016

Cladosporin

Structural Information

Molecular Formula
C16H20O5
SMILES
C[C@H]1CCC[C@@H](O1)C[C@H]2CC3=C(C(=CC(=C3)O)O)C(=O)O2
InChI
InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1
InChIKey
WOMKDMUZNBFXKG-ZWKOPEQDSA-N
Compound name
(3R)-6,8-dihydroxy-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-3,4-dihydroisochromen-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

319
Patents

292.13107 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13835 166.2
[M+Na]+ 315.12029 178.2
[M+NH4]+ 310.16489 173.5
[M+K]+ 331.09423 173.3
[M-H]- 291.12379 171.7
[M+Na-2H]- 313.10574 168.7
[M]+ 292.13052 169.3
[M]- 292.13162 169.3
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