CID 226149

1,1-diphenylpropanol

Structural Information

Molecular Formula
C15H16O
SMILES
CCC(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C15H16O/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,16H,2H2,1H3
InChIKey
OIYMUIUXMYAXIX-UHFFFAOYSA-N
Compound name
1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

913
Patents

212.12012 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12740 148.2
[M+Na]+ 235.10934 154.5
[M-H]- 211.11284 153.3
[M+NH4]+ 230.15394 165.9
[M+K]+ 251.08328 150.4
[M+H-H2O]+ 195.11738 141.6
[M+HCOO]- 257.11832 169.4
[M+CH3COO]- 271.13397 184.9
[M+Na-2H]- 233.09479 156.0
[M]+ 212.11957 146.7
[M]- 212.12067 146.7
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