CID 10829

Evernic acid

Structural Information

Molecular Formula
C17H16O7
SMILES
CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)OC
InChI
InChI=1S/C17H16O7/c1-8-5-11(7-12(18)14(8)16(20)21)24-17(22)15-9(2)4-10(23-3)6-13(15)19/h4-7,18-19H,1-3H3,(H,20,21)
InChIKey
GODLCSLPZIBRMG-UHFFFAOYSA-N
Compound name
2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

30
Patents

332.0896 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09688 174.3
[M+Na]+ 355.07882 186.1
[M+NH4]+ 350.12342 178.4
[M+K]+ 371.05276 183.1
[M-H]- 331.08232 174.6
[M+Na-2H]- 353.06427 177.9
[M]+ 332.08905 175.7
[M]- 332.09015 175.7
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