CID 6452100

Cyclopolic acid

Structural Information

Molecular Formula
C11H12O6
SMILES
CC1=C(C(=C2C(OC(=O)C2=C1OC)O)CO)O
InChI
InChI=1S/C11H12O6/c1-4-8(13)5(3-12)6-7(9(4)16-2)11(15)17-10(6)14/h10,12-14H,3H2,1-2H3
InChIKey
DNYLYWCIKXVVFI-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.06339 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07067 146.9
[M+Na]+ 263.05261 157.6
[M-H]- 239.05611 149.6
[M+NH4]+ 258.09721 165.1
[M+K]+ 279.02655 156.1
[M+H-H2O]+ 223.06065 143.0
[M+HCOO]- 285.06159 165.8
[M+CH3COO]- 299.07724 187.2
[M+Na-2H]- 261.03806 149.9
[M]+ 240.06284 151.2
[M]- 240.06394 151.2
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

No patent data available for this compound.