CID 56841461

1,3-bis(2,-dimethylphenoxy)propan-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 172.0
[M+Na]+ 323.16177 179.2
[M-H]- 299.16527 177.7
[M+NH4]+ 318.20637 187.0
[M+K]+ 339.13571 175.8
[M+H-H2O]+ 283.16981 164.3
[M+HCOO]- 345.17075 192.8
[M+CH3COO]- 359.18640 206.1
[M+Na-2H]- 321.14722 172.9
[M]+ 300.17200 176.3
[M]- 300.17310 176.3
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

No patent data available for this compound.