CID 24148517

115103-30-5

Structural Information

Molecular Formula
C15H16O5
SMILES
CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2C)OC)O)O)O
InChI
InChI=1S/C15H16O5/c1-8-4-11(16)14(18)13(5-8)20-15-9(2)6-10(19-3)7-12(15)17/h4-7,16-18H,1-3H3
InChIKey
JGXPRDVSWGDODG-UHFFFAOYSA-N
Compound name
3-(2-hydroxy-4-methoxy-6-methylphenoxy)-5-methylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

276.09976 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10704 160.0
[M+Na]+ 299.08898 169.8
[M-H]- 275.09248 164.3
[M+NH4]+ 294.13358 175.0
[M+K]+ 315.06292 166.6
[M+H-H2O]+ 259.09702 153.4
[M+HCOO]- 321.09796 180.4
[M+CH3COO]- 335.11361 195.6
[M+Na-2H]- 297.07443 162.0
[M]+ 276.09921 163.5
[M]- 276.10031 163.5
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