CID 181271

Batatasin iv

Structural Information

Molecular Formula
C15H16O3
SMILES
COC1=CC(=CC(=C1)O)CCC2=CC=CC=C2O
InChI
InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3
InChIKey
IUMFLNFLJUUODE-UHFFFAOYSA-N
Compound name
3-[2-(2-hydroxyphenyl)ethyl]-5-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

244.10994 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 155.3
[M+Na]+ 267.09916 169.8
[M+NH4]+ 262.14376 163.5
[M+K]+ 283.07310 162.5
[M-H]- 243.10266 159.1
[M+Na-2H]- 265.08461 163.6
[M]+ 244.10939 158.5
[M]- 244.11049 158.5
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