CID 44611711

Resorcinol compound 21

Structural Information

Molecular Formula
C17H20O4
SMILES
COC1=CC(=CC(=C1)CCCC2=C(C=C(C=C2)O)O)OC
InChI
InChI=1S/C17H20O4/c1-20-15-8-12(9-16(11-15)21-2)4-3-5-13-6-7-14(18)10-17(13)19/h6-11,18-19H,3-5H2,1-2H3
InChIKey
FKEXLBVQKBTEJO-UHFFFAOYSA-N
Compound name
4-[3-(3,5-dimethoxyphenyl)propyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

288.13617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 166.4
[M+Na]+ 311.12539 174.1
[M-H]- 287.12889 170.9
[M+NH4]+ 306.16999 181.1
[M+K]+ 327.09933 170.4
[M+H-H2O]+ 271.13343 158.9
[M+HCOO]- 333.13437 187.5
[M+CH3COO]- 347.15002 198.9
[M+Na-2H]- 309.11084 169.1
[M]+ 288.13562 170.1
[M]- 288.13672 170.1
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

patents stripe