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 158.1
[M+Na]+ 283.09408 165.9
[M-H]- 259.09758 160.2
[M+NH4]+ 278.13868 172.5
[M+K]+ 299.06802 160.8
[M+H-H2O]+ 243.10212 151.6
[M+HCOO]- 305.10306 176.9
[M+CH3COO]- 319.11871 188.4
[M+Na-2H]- 281.07953 160.9
[M]+ 260.10431 157.5
[M]- 260.10541 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