CID 23120838

1,3-bis(2,6-dimethylphenoxy)-2-propanol

Structural Information

Molecular Formula
C19H24O3
SMILES
CC1=C(C(=CC=C1)C)OCC(COC2=C(C=CC=C2C)C)O
InChI
InChI=1S/C19H24O3/c1-13-7-5-8-14(2)18(13)21-11-17(20)12-22-19-15(3)9-6-10-16(19)4/h5-10,17,20H,11-12H2,1-4H3
InChIKey
YAVQFOAXBHRSBB-UHFFFAOYSA-N
Compound name
1,3-bis(2,6-dimethylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

300.17255 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17983 172.6
[M+Na]+ 323.16177 186.8
[M+NH4]+ 318.20637 180.3
[M+K]+ 339.13571 179.3
[M-H]- 299.16527 176.6
[M+Na-2H]- 321.14722 179.9
[M]+ 300.17200 175.9
[M]- 300.17310 175.9
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