CID 29908

20017-67-8

Structural Information

Molecular Formula
C15H16O
SMILES
C1=CC=C(C=C1)C(CCO)C2=CC=CC=C2
InChI
InChI=1S/C15H16O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKey
IDCXQMVSIIJUEH-UHFFFAOYSA-N
Compound name
3,3-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

558
Patents

212.12012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.127396 148.4
[M+Na]+ 235.109338 153.9
[M-H]- 211.112844 153.3
[M+NH4]+ 230.153943 165.9
[M+K]+ 251.083278 149.8
[M+H-H2O]+ 195.117380 141.3
[M+HCOO]- 257.118321 170.2
[M+CH3COO]- 271.133971 185.4
[M+Na-2H]- 233.094786 154.3
[M]+ 212.11957142 146.8
[M]- 212.12066858 146.8
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