CID 44611708

Resorcinol compound 13

Structural Information

Molecular Formula
C15H14O4
SMILES
C1OC2=C(O1)C=C(C=C2)CCC3=C(C=C(C=C3)O)O
InChI
InChI=1S/C15H14O4/c16-12-5-4-11(13(17)8-12)3-1-10-2-6-14-15(7-10)19-9-18-14/h2,4-8,16-17H,1,3,9H2
InChIKey
WYCYXIGYEQHUEJ-UHFFFAOYSA-N
Compound name
4-[2-(1,3-benzodioxol-5-yl)ethyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

258.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 155.5
[M+Na]+ 281.07842 164.0
[M-H]- 257.08192 162.4
[M+NH4]+ 276.12302 171.4
[M+K]+ 297.05236 162.0
[M+H-H2O]+ 241.08646 149.7
[M+HCOO]- 303.08740 174.7
[M+CH3COO]- 317.10305 168.2
[M+Na-2H]- 279.06387 161.2
[M]+ 258.08865 157.7
[M]- 258.08975 157.7
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