CID 120660

3-(2-biphenylyloxy)-1,2-propanediol

Structural Information

Molecular Formula
C15H16O3
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2OCC(CO)O
InChI
InChI=1S/C15H16O3/c16-10-13(17)11-18-15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-9,13,16-17H,10-11H2
InChIKey
QDYAOQJCHFOYNV-UHFFFAOYSA-N
Compound name
3-(2-phenylphenoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

244.10994 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 156.0
[M+Na]+ 267.09916 169.3
[M+NH4]+ 262.14376 164.0
[M+K]+ 283.07310 162.4
[M-H]- 243.10266 159.4
[M+Na-2H]- 265.08461 164.3
[M]+ 244.10939 158.8
[M]- 244.11049 158.8
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