CID 11779786

Methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate

Structural Information

Molecular Formula
C16H16O6
SMILES
CC1=CC(=C(C(=C1)OC2=CC(=C(C(=C2)C)C(=O)OC)O)O)O
InChI
InChI=1S/C16H16O6/c1-8-4-12(18)15(19)13(5-8)22-10-6-9(2)14(11(17)7-10)16(20)21-3/h4-7,17-19H,1-3H3
InChIKey
BLXSEOJIXHWXQJ-UHFFFAOYSA-N
Compound name
methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

304.0947 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10198 165.9
[M+Na]+ 327.08392 175.1
[M-H]- 303.08742 170.1
[M+NH4]+ 322.12852 179.6
[M+K]+ 343.05786 172.5
[M+H-H2O]+ 287.09196 159.1
[M+HCOO]- 349.09290 185.3
[M+CH3COO]- 363.10855 200.4
[M+Na-2H]- 325.06937 166.3
[M]+ 304.09415 169.9
[M]- 304.09525 169.9
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