CID 11076067

31952-16-6

Structural Information

Molecular Formula
C17H20O2
SMILES
C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(CO)CO
InChI
InChI=1S/C17H20O2/c18-13-17(14-19,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,18-19H,11-14H2
InChIKey
AZLRECYOMFCGTK-UHFFFAOYSA-N
Compound name
2,2-dibenzylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

256.14633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15361 161.1
[M+Na]+ 279.13555 165.9
[M-H]- 255.13905 164.4
[M+NH4]+ 274.18015 176.2
[M+K]+ 295.10949 161.0
[M+H-H2O]+ 239.14359 154.1
[M+HCOO]- 301.14453 180.3
[M+CH3COO]- 315.16018 190.4
[M+Na-2H]- 277.12100 167.4
[M]+ 256.14578 159.9
[M]- 256.14688 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe