CID 3023593

2,3-bis(2,4-dimethylphenoxy)propan-1-ol

Structural Information

Molecular Formula
C19H24O3
SMILES
CC1=CC(=C(C=C1)OCC(CO)OC2=C(C=C(C=C2)C)C)C
InChI
InChI=1S/C19H24O3/c1-13-5-7-18(15(3)9-13)21-12-17(11-20)22-19-8-6-14(2)10-16(19)4/h5-10,17,20H,11-12H2,1-4H3
InChIKey
LNIPKNVYCLDKBU-UHFFFAOYSA-N
Compound name
2,3-bis(2,4-dimethylphenoxy)propan-1-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]+ 301.179826 172.0
[M+Na]+ 323.161768 179.2
[M-H]- 299.165274 177.7
[M+NH4]+ 318.206373 187.0
[M+K]+ 339.135708 175.8
[M+H-H2O]+ 283.169810 164.3
[M+HCOO]- 345.170751 192.8
[M+CH3COO]- 359.186401 206.1
[M+Na-2H]- 321.147216 172.9
[M]+ 300.17200142 176.3
[M]- 300.17309858 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.