CID 13337243

Randaiol

Structural Information

Molecular Formula
C15H14O3
SMILES
C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)O)O
InChI
InChI=1S/C15H14O3/c1-2-3-10-4-6-14(17)12(8-10)13-9-11(16)5-7-15(13)18/h2,4-9,16-18H,1,3H2
InChIKey
KIQCVMGDSBIIGW-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-5-prop-2-enylphenyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

242.0943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.101576 153.3
[M+Na]+ 265.083518 162.1
[M-H]- 241.087024 156.9
[M+NH4]+ 260.128123 169.3
[M+K]+ 281.057458 156.6
[M+H-H2O]+ 225.091560 147.0
[M+HCOO]- 287.092501 173.7
[M+CH3COO]- 301.108151 187.7
[M+Na-2H]- 263.068966 156.7
[M]+ 242.09375142 152.4
[M]- 242.09484858 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe