CID 65029

Citromycetin

Structural Information

Molecular Formula
C14H10O7
SMILES
CC1=CC(=O)C2=C(O1)C3=C(C=C(C(=C3C(=O)O)O)O)OC2
InChI
InChI=1S/C14H10O7/c1-5-2-7(15)6-4-20-9-3-8(16)12(17)11(14(18)19)10(9)13(6)21-5/h2-3,16-17H,4H2,1H3,(H,18,19)
InChIKey
PKEPGKZPVDAVKI-UHFFFAOYSA-N
Compound name
8,9-dihydroxy-2-methyl-4-oxo-5H-pyrano[3,2-c]chromene-10-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

42
Patents

290.04266 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04994 158.1
[M+Na]+ 313.03188 168.8
[M-H]- 289.03538 162.5
[M+NH4]+ 308.07648 171.6
[M+K]+ 329.00582 168.1
[M+H-H2O]+ 273.03992 151.9
[M+HCOO]- 335.04086 173.2
[M+CH3COO]- 349.05651 198.0
[M+Na-2H]- 311.01733 164.3
[M]+ 290.04211 162.5
[M]- 290.04321 162.5
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