CID 5319108

Luteic acid

Structural Information

Molecular Formula
C14H8O9
SMILES
C1=C2C(=C(C(=C1O)O)O)C3=C(C(=C(C=C3C(=O)O)O)O)OC2=O
InChI
InChI=1S/C14H8O9/c15-5-2-4-7(11(19)9(5)17)8-3(13(20)21)1-6(16)10(18)12(8)23-14(4)22/h1-2,15-19H,(H,20,21)
InChIKey
FLZGFQFYDGHWLR-UHFFFAOYSA-N
Compound name
3,4,8,9,10-pentahydroxy-6-oxobenzo[c]chromene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

147
Patents

320.01685 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.02413 162.6
[M+Na]+ 343.00607 174.4
[M-H]- 319.00957 163.5
[M+NH4]+ 338.05067 174.2
[M+K]+ 358.98001 172.6
[M+H-H2O]+ 303.01411 156.6
[M+HCOO]- 365.01505 176.8
[M+CH3COO]- 379.03070 199.4
[M+Na-2H]- 340.99152 167.4
[M]+ 320.01630 167.5
[M]- 320.01740 167.5
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

patents stripe