CID 44611837

Resorcinol compound 19

Structural Information

Molecular Formula
C15H16O4
SMILES
C1=CC(=C(C=C1O)O)CCCC2=CC(=CC(=C2)O)O
InChI
InChI=1S/C15H16O4/c16-12-5-4-11(15(19)9-12)3-1-2-10-6-13(17)8-14(18)7-10/h4-9,16-19H,1-3H2
InChIKey
NQTJPTOXNAMXIJ-UHFFFAOYSA-N
Compound name
4-[3-(3,5-dihydroxyphenyl)propyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

260.10486 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 159.4
[M+Na]+ 283.09408 172.5
[M+NH4]+ 278.13868 166.1
[M+K]+ 299.06802 166.6
[M-H]- 259.09758 161.6
[M+Na-2H]- 281.07953 165.6
[M]+ 260.10431 161.8
[M]- 260.10541 161.8
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