CID 101228

2,2-diethoxy-1,1-diphenyl-1-propanol

Structural Information

Molecular Formula
C19H24O3
SMILES
CCOC(C)(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)OCC
InChI
InChI=1S/C19H24O3/c1-4-21-18(3,22-5-2)19(20,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,20H,4-5H2,1-3H3
InChIKey
BCTYXOYLQMUBTP-UHFFFAOYSA-N
Compound name
2,2-diethoxy-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

300.17255 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17983 173.2
[M+Na]+ 323.16177 177.8
[M-H]- 299.16527 177.8
[M+NH4]+ 318.20637 187.1
[M+K]+ 339.13571 174.6
[M+H-H2O]+ 283.16981 165.7
[M+HCOO]- 345.17075 191.8
[M+CH3COO]- 359.18640 201.4
[M+Na-2H]- 321.14722 179.7
[M]+ 300.17200 175.4
[M]- 300.17310 175.4
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.