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

43
Patents

260.10486 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.112136 158.1
[M+Na]+ 283.094078 165.9
[M-H]- 259.097584 160.2
[M+NH4]+ 278.138683 172.5
[M+K]+ 299.068018 160.8
[M+H-H2O]+ 243.102120 151.6
[M+HCOO]- 305.103061 176.9
[M+CH3COO]- 319.118711 188.4
[M+Na-2H]- 281.079526 160.9
[M]+ 260.10431142 157.5
[M]- 260.10540858 157.5
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